data_2n6a_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 2n6a _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.47 -21.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.15 52.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -53.42 -47.88 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.0 -45.36 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -51.22 -51.21 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.5 -39.24 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.48 -38.35 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -85.99 -42.99 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 p -51.24 -45.76 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -69.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -78.72 114.91 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -89.73 -24.24 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -20.05 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 48.49 65.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -98.04 -20.5 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 27.6 5.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -170.18 165.04 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.34 127.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -98.35 168.0 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 p -51.14 -32.16 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -54.95 40.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.53 -68.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -39.76 33.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.46 -56.16 24.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 -31.68 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -41.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -79.77 -36.56 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -27.51 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -78.52 -3.26 42.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.8 20.0 12.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 18.24 75.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -110.51 165.0 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -119.07 71.53 11.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.708 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.11 41.66 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.753 2.302 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -110.09 170.11 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.19 -36.93 53.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -56.78 -46.76 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.59 -60.47 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -51.76 -40.23 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -60.91 -58.35 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtt -51.21 -55.63 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.56 -58.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.27 -21.75 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -83.52 -25.35 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 m -112.31 24.79 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.51 117.82 32.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.63 -16.88 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -40.03 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.73 50.33 2.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.36 -20.19 13.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 30.16 9.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 p -141.74 154.67 45.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.151 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.58 122.45 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -173.04 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.99 -59.78 4.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.81 -31.58 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -51.2 -64.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -51.3 -49.82 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -47.66 50.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.6 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttp -57.57 -57.75 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.85 -29.43 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.12 -26.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -55.0 -26.09 34.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -36.67 49.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.3 tpp -52.5 -29.58 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -37.49 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -64.0 147.39 52.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -54.49 -34.31 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -153.26 173.73 15.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -92.17 6.21 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.68 -46.43 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -49.92 -56.41 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.33 -48.26 79.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.35 -70.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -48.64 -40.16 26.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.65 -39.5 77.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.92 -60.55 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.27 -22.54 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -78.96 -41.88 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.1 m -76.09 -23.47 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -72.4 -47.79 46.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.82 90.23 2.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -55.99 -34.04 65.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.73 -20.42 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.78 28.08 67.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -69.91 -15.99 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.2 6.98 27.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -148.65 149.63 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.3 mt -105.73 123.98 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -94.7 161.96 13.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.07 -37.83 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.6 -59.57 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.97 -60.35 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -50.64 -51.95 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -51.17 -55.72 16.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -53.93 -39.29 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.71 -42.85 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -71.28 -48.83 48.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -61.67 -46.86 87.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -50.29 -55.99 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -21.07 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.55 27.46 10.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 99.75 12.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -51.89 117.14 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 145.67 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.4 p -104.15 166.15 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -51.78 -42.94 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.06 -44.49 96.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -51.8 -70.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -53.45 -45.25 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.91 -54.78 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.27 -42.89 96.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.9 ttt -51.76 -56.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.6 mm -65.36 -34.39 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -29.28 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -89.66 -39.3 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.95 -18.52 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -111.94 102.52 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.71 -43.61 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -20.45 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.75 93.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.92 9.07 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.93 79.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.44 133.29 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.12 118.07 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -91.67 162.89 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.63 -46.0 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.96 -48.46 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.09 -27.75 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -38.86 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 m -72.58 -24.95 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.68 -19.85 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.72 -17.59 49.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ptm -110.36 11.12 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.2 p -109.74 28.82 8.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.51 51.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.13 21.61 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 m -48.48 -50.19 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -15.72 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.51 -177.05 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.3 33.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.58 -26.08 5.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.8 m -49.45 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.64 -54.42 21.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -53.62 -33.84 56.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -54.15 21.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.36 -54.71 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.1 tt -59.04 -43.89 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.71 -41.01 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.52 -44.09 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.12 91.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 19.7 m -73.98 -23.91 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -78.21 -40.66 36.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -83.76 -30.46 29.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.94 -30.16 23.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.713 0.292 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -95.42 176.72 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.5 -21.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.46 -47.88 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.53 -53.89 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.32 -51.45 68.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -50.36 -44.12 54.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.36 -45.73 82.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.46 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -61.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.67 -18.05 57.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -87.62 -40.52 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.95 93.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -90.43 -19.32 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -20.49 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.75 50.36 54.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.2 -20.53 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.48 21.07 25.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -149.74 164.55 34.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 mt -131.49 136.15 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -100.13 165.76 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.3 -41.08 65.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.21 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -45.3 53.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -64.55 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -55.14 -38.84 68.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.143 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.98 -45.59 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mtt -68.93 -44.59 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -64.53 -24.03 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.3 m -60.22 -20.05 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.87 20.04 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 -4.31 79.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.523 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 159.1 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.731 0.301 . . . . 0.0 110.937 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.0 72.16 5.91 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 129.51 17.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -110.54 -179.75 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.65 -32.92 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -45.12 77.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.06 -54.71 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.02 -56.13 25.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.54 -40.29 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.14 -59.57 5.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 mm -51.09 -58.48 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.59 -22.24 43.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -86.08 -24.74 26.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -118.97 27.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -139.5 104.9 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.83 -14.89 30.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.91 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.77 44.69 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.76 6.01 23.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.82 30.44 69.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.0 p -139.57 156.04 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mt -102.62 117.36 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.91 179.16 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.9 t80 -66.88 -56.64 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -32.04 19.26 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.8 -65.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.29 -50.14 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -50.6 -41.17 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.3 m -68.47 -44.3 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -55.9 -44.49 78.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 mtp -76.92 -52.5 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.67 -28.22 8.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -54.08 -26.18 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -18.33 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.9 ttp -50.53 -30.96 14.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -52.34 -29.39 23.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.23 117.98 22.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -74.06 -9.81 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.81 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 p -99.34 -21.32 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.06 -40.04 57.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.47 -60.16 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -55.65 -55.09 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -49.89 -70.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -46.38 21.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.31 -39.15 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.17 -61.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.18 -20.03 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -81.48 -40.5 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.97 -23.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.06 -26.77 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.45 90.67 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.26 -20.36 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.24 35.43 90.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -69.8 -20.2 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.31 15.69 16.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.424 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -154.09 129.82 10.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -90.24 116.91 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -95.3 170.17 9.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.57 -33.31 71.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.63 -63.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -58.1 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.03 -47.76 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -52.1 -51.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.65 -34.9 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.15 -46.49 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.6 mmt -79.45 -23.98 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -76.01 -43.91 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -43.63 63.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -28.6 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.89 -19.59 27.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -54.92 112.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -68.37 115.8 8.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -118.49 150.3 39.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.59 164.08 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.64 -37.67 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.88 -40.54 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.82 -69.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.51 -46.22 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.23 -31.11 69.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.86 -62.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.3 ptm -51.05 -38.18 49.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.1 mm -72.13 -50.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -56.95 -28.7 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -90.24 -33.49 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.74 -1.6 51.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -119.66 106.74 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 28.7 mt -64.03 -45.45 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -20.51 58.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.39 37.92 86.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.29 12.19 21.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.77 11.83 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.74 129.65 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.44 134.3 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -110.28 -179.33 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.26 -58.03 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -50.64 -32.6 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -85.52 -30.57 23.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.34 -42.81 96.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.71 -26.03 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.9 -19.99 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -62.43 -16.67 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.7 ttm -110.8 10.88 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 p -113.38 50.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.77 51.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.18 21.2 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 11.0 p -49.19 -50.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.2 p -94.17 21.04 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -109.62 -177.63 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.67 32.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.73 -25.11 6.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -66.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.795 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.17 -52.52 31.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.55 -34.74 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -49.69 63.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -55.45 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.3 tt -57.99 -43.75 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -64.58 -36.52 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.26 -43.99 84.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.88 -49.93 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.97 -32.56 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -71.94 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -61.41 -29.66 72.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.07 -37.69 47.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -75.85 138.8 41.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.8 mt -78.57 -21.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -42.37 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -52.03 -56.03 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -60.51 -42.66 96.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -51.38 -53.76 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.03 -45.9 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.64 65.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -74.78 -46.18 38.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -52.96 -49.94 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.87 -13.33 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -87.14 120.15 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.93 -21.23 22.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.7 -20.39 22.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.07 46.79 76.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.82 -20.01 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.35 23.74 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -168.89 163.78 11.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.32 131.5 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -97.11 167.92 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.0 p -50.43 -32.03 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -60.73 -58.07 10.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.48 -67.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.33 -36.33 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.33 -65.34 3.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.452 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 t -60.05 -41.01 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.2 -46.72 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.4 ttp -68.1 -36.25 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.42 -23.21 60.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.0 m -60.95 -17.81 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.37 20.23 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.25 82.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -92.51 154.51 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.74 73.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.91 18.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 p -111.08 179.37 4.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -52.21 -35.94 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.72 74.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.87 -57.62 11.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.25 -50.16 73.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.33 -46.22 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.3 -60.18 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -60.3 2.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mm -51.91 -55.49 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.89 -25.25 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -89.59 -20.27 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -118.79 30.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -144.17 106.31 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.28 29.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -40.81 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.15 47.27 3.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.18 11.99 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.52 30.66 72.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -150.73 163.46 38.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.5 tt -116.7 143.01 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -91.32 -176.1 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.82 -58.52 5.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.734 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.6 Cg_endo -69.77 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.75 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -27.05 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -78.69 -49.75 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -19.89 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 ttp -88.98 -56.62 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.6 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -54.38 -28.86 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.54 -24.6 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -25.94 40.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -52.05 -30.06 23.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.88 141.13 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -100.42 9.99 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -108.83 112.51 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.4 m -97.85 -19.21 18.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -54.73 -34.56 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -57.89 -62.0 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.71 -46.47 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -52.41 -71.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -48.89 -45.23 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.66 -36.71 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.79 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -20.68 58.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -80.79 -41.21 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.37 -25.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -73.82 -32.85 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -87.93 90.47 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.12 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.12 -20.55 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.9 36.02 90.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -69.88 -20.12 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.04 13.66 20.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -153.67 129.6 10.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 98.0 mt -89.97 123.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 t -101.05 172.86 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -28.13 68.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -57.57 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.47 -44.58 89.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.13 -63.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.73 -31.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -73.85 -39.47 63.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.36 -41.33 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -48.96 27.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.6 m -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -55.94 -34.24 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -21.4 66.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.2 -18.35 28.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.44 135.56 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -92.67 128.4 38.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.61 164.81 13.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -110.03 162.15 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -51.9 -37.65 53.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -62.13 -37.68 86.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.04 -69.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.15 -46.31 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.14 -33.83 72.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.53 -62.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.58 -37.12 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -71.99 -42.9 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -63.34 -30.6 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.42 -30.59 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.92 -5.63 59.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -120.13 107.26 12.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -62.74 -46.56 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -20.5 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.57 90.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.5 11.04 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.07 86.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -127.33 129.79 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.77 132.19 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -110.44 -177.3 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.22 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -50.78 -31.47 17.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -87.5 -31.62 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.73 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 m -67.11 -25.37 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.65 -20.89 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -61.03 -17.74 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.7 ttp -108.76 10.48 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.4 p -111.79 49.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.45 50.9 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.86 21.31 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.2 t -49.53 -49.75 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.7 p -85.16 -11.28 55.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -77.88 -177.72 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.16 -26.15 4.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.434 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 m -49.97 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.77 -51.43 39.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -57.6 -29.84 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -48.44 55.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.6 tt -64.58 -43.95 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.86 -38.39 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 18.7 m -74.4 -30.64 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -74.51 -42.05 59.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.86 -32.59 36.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -50.71 -39.61 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -105.84 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.786 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.59 -23.2 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -45.39 62.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.99 -68.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.31 -42.52 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -51.49 -46.67 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.91 -38.92 69.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.09 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.67 -43.53 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 t -51.11 -47.58 61.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -38.52 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -110.24 95.04 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -73.35 -25.15 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.91 -20.15 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.73 50.0 55.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.92 -20.25 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 29.67 6.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -169.44 162.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.66 122.27 52.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -96.39 168.95 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -38.31 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -58.6 -46.12 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.63 -68.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -43.3 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.05 -57.2 15.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 m -63.18 -31.49 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.66 -53.89 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptp -72.84 -29.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.36 -29.35 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -81.83 0.31 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.17 17.49 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.08 17.21 79.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.54 170.7 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -116.55 77.24 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 140.07 42.04 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.745 2.296 . . . . 0.0 112.384 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -110.37 174.05 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.65 -39.62 92.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.61 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.8 -50.5 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.75 -58.22 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.22 -39.38 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -61.66 -58.87 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.2 tpt -50.99 -54.78 21.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mm -51.31 -58.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.76 -20.69 61.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.41 -23.71 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.3 22.71 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -135.22 100.76 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -18.31 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.74 16.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.54 47.52 21.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -92.92 -20.89 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.94 11.63 36.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.16 150.83 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.36 135.13 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.79 179.07 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -67.62 -56.82 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.3 Cg_endo -69.82 -30.78 21.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.43 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -50.61 -50.78 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -41.04 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -66.11 -47.59 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.69 -50.82 67.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttp -68.08 -50.47 54.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.53 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -53.15 -28.54 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -58.07 -27.56 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.55 -31.06 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -32.36 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.39 132.64 40.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 m -88.01 -39.74 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -58.06 109.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -97.0 7.36 46.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.5 -40.89 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -59.89 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -53.48 56.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.72 -70.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.25 -43.69 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.07 -40.2 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.3 -60.88 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -59.64 -20.89 59.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -80.38 -40.15 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.02 -23.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.18 -21.15 46.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.98 91.24 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -48.7 -63.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.36 -20.33 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.03 36.4 92.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.99 -17.35 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.15 12.93 16.61 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -153.34 130.72 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.61 122.56 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -94.92 164.36 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.64 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.4 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -54.11 -62.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -51.97 -39.71 59.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -56.4 -56.12 25.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -65.73 -25.42 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.73 -47.54 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mtt -86.29 -19.6 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.3 m -81.87 -46.38 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.072 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -56.21 -32.65 64.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -21.19 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 -18.2 28.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.01 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -62.35 113.12 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.0 158.51 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.19 164.54 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -51.36 -32.84 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.12 -40.06 95.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.61 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -53.0 -47.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.16 -33.84 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.54 -62.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -52.41 -42.15 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.14 -35.73 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -68.01 -33.08 73.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -87.28 -30.42 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.19 -25.31 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.87 99.55 10.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.0 mt -65.64 -37.02 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -20.79 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.76 40.54 85.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.3 10.92 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.89 77.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.52 134.1 33.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.9 t -92.79 135.79 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -110.12 164.11 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.21 -47.06 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -48.32 -51.83 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.15 -30.52 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.2 -48.36 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.8 -22.49 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -62.91 -20.17 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -61.23 -17.45 53.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.8 mtm -109.89 11.06 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.2 p -111.08 32.42 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 109.41 51.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.98 21.04 7.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.6 t -48.76 -50.37 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.8 t -82.55 -15.54 51.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -78.44 -176.73 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.11 33.44 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.17 -26.11 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 22.8 t -49.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.22 -55.05 17.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -53.53 -33.12 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -53.41 25.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -55.12 -54.03 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.8 tt -59.56 -44.19 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -61.12 -42.78 99.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.86 -41.86 97.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.8 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.2 m -74.67 -23.81 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -82.32 -26.39 33.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -90.29 -41.17 5.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.46 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.74 151.96 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.34 -24.38 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.22 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -51.51 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.18 -42.13 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -51.32 -51.47 54.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.8 -33.97 66.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.9 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -85.61 -42.81 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -50.73 -47.43 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -67.14 -28.94 68.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -60.14 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.08 111.42 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -69.52 -25.85 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.14 -20.5 11.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 50.26 61.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -81.26 -6.61 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.88 17.37 9.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -170.23 163.43 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.078 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 mt -125.37 124.19 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -93.74 167.78 11.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.5 p -53.26 -31.8 45.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -59.32 -54.93 41.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.18 -68.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.817 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -36.09 28.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.4 -62.91 5.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -63.63 -37.88 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.24 -37.38 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.22 -46.46 50.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -19.9 62.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -57.58 -22.29 44.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.51 20.49 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.59 18.16 62.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -91.85 162.95 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.65 67.44 49.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.39 21.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -110.74 179.74 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -51.77 -41.72 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.57 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.45 -59.52 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -54.72 -54.46 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -55.19 -42.61 73.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.32 -59.96 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mtt -51.82 -57.7 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.0 mm -50.85 -59.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -57.49 -23.56 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -84.38 -23.84 29.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.69 25.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.93 103.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.47 -20.67 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -110.41 -40.21 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.65 50.61 2.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -103.01 -20.13 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.48 9.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 p -142.86 178.87 7.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.41 134.31 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -91.71 -175.51 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -68.28 -59.72 5.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.74 -32.0 19.5 Favored 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.747 2.298 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -51.07 -66.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.49 -49.7 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -39.51 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.7 m -69.51 -46.6 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -54.62 -44.45 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 ttp -75.86 -49.85 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.29 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -55.37 -30.5 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -24.67 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -28.43 26.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -51.84 -30.17 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -58.57 -178.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -97.5 -69.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -102.98 159.6 15.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -99.21 10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.77 -42.07 45.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.19 -56.66 14.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -58.19 -52.92 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 mm -49.36 -71.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -47.63 -45.77 28.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -53.11 -38.66 62.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 -61.27 2.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -59.96 -19.91 54.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -81.79 -38.32 25.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.49 -23.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.38 -46.24 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.31 90.59 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -50.06 -57.29 7.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -20.43 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.09 34.18 88.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.77 -19.53 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.26 15.85 11.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -154.59 129.88 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.9 mt -92.24 120.04 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -95.18 -179.89 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.0 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.55 -58.88 5.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -58.87 -41.13 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.74 -63.18 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -51.6 -31.86 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -75.34 -37.91 60.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.7 t -65.44 -42.14 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.0 mtm -76.74 -43.86 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 m -65.01 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.72 -34.45 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -13.45 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.01 -14.28 31.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.42 157.74 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -116.78 156.61 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -159.08 158.14 32.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.23 170.26 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -51.99 -38.15 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.27 -39.54 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -58.31 -70.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.41 -47.69 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.7 -63.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ptm -50.72 -40.22 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -68.02 -47.53 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.64 -34.35 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -29.49 26.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.59 8.98 25.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -120.45 122.97 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.43 -42.63 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.5 -20.46 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.81 50.45 24.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.66 -15.95 16.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.13 4.71 29.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -119.8 129.47 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.81 122.92 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -105.26 -170.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -71.09 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.44 -28.61 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.4 -27.63 21.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -71.44 -42.27 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.37 -26.37 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.53 -21.7 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -63.17 -15.8 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.53 10.84 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.4 p -113.66 48.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.73 50.8 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.42 20.95 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.6 p -49.17 -50.41 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -83.62 -12.35 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -78.52 -177.64 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.78 33.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.28 -26.91 5.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 42.3 m -49.58 -65.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.23 -55.31 16.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -53.19 -35.22 59.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.49 -50.2 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -57.74 -55.25 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.69 -42.89 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -65.04 -38.98 92.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.57 -39.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.27 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.0 -29.77 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -73.22 -56.81 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.09 -24.83 74.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.96 22.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -102.76 177.48 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.18 -22.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.82 -49.7 58.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.17 -49.64 51.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -61.53 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -51.75 -45.85 63.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.49 -38.5 77.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.71 83.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.42 -44.08 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -51.46 -49.73 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.3 -17.34 60.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -136.43 144.23 44.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -90.6 0.93 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -21.05 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.11 48.89 38.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.415 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.38 -20.09 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.4 15.94 59.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 mp -134.35 124.32 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 165.91 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -49.14 -31.34 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -29.91 66.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.81 5.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.43 -43.62 93.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.7 t -54.14 -50.82 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 ttp -65.35 -45.0 85.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.47 -23.47 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.791 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -17.76 58.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.27 19.83 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.31 85.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -69.17 174.98 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -145.42 68.61 13.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.566 0.698 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.95 61.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -109.99 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.11 -49.33 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.61 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -58.28 -56.16 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.25 -57.46 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -52.17 -41.79 62.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.34 -60.18 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttt -49.9 -56.61 9.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -62.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -56.02 -23.65 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -83.19 -23.79 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.61 22.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -131.1 96.21 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -16.85 61.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -23.89 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.77 48.05 87.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -82.91 -19.75 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.31 8.12 25.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -147.31 169.45 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -100.97 121.59 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.18 175.44 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.9 t80 -67.26 -56.54 12.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.83 -31.99 19.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -51.11 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -54.63 -39.42 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.2 m -78.92 -47.1 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -19.9 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -89.93 -56.75 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.64 34.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -54.11 -27.4 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.84 -21.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -51.74 -30.21 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -52.33 -29.82 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -94.64 101.54 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.9 p -64.92 -25.04 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.78 98.29 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -92.84 10.09 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -60.43 -33.36 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.807 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -59.67 -60.91 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.46 -47.82 84.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.9 mt -53.63 -70.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -46.98 -49.11 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -53.59 -37.23 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -21.52 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -80.06 -41.73 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.59 -23.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.55 -45.71 57.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -71.94 90.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.812 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -50.65 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -22.35 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.97 48.39 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.71 -14.08 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.53 8.76 24.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -152.46 147.56 26.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.18 113.24 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -92.27 167.4 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.56 63.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.78 -67.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -51.57 -50.96 59.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -55.68 -51.26 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -62.6 -32.19 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.84 -58.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.85 -37.91 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.3 m -66.0 -32.7 74.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -47.98 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.87 -18.94 28.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 152.06 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -113.4 124.71 53.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 pp -127.95 165.57 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -110.58 163.81 13.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -51.55 -36.46 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -39.17 93.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -57.39 -68.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.79 -48.09 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.23 -30.12 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.33 -61.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.9 ptm -52.09 -33.69 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.07 -43.0 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -62.4 -28.35 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.58 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -103.83 102.91 12.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.13 -34.63 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.59 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.84 37.9 75.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.51 15.35 14.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.4 16.03 68.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -134.59 135.51 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.5 116.31 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -91.06 164.03 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.12 -46.35 81.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -48.36 -51.46 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.83 -29.21 44.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.18 -47.99 71.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.1 -24.13 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -60.07 -20.43 58.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.74 -16.13 56.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 ttp -110.2 11.09 23.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -114.14 40.99 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.48 50.88 1.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.58 21.07 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -50.33 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.2 t -81.06 -12.88 59.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.99 -177.26 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.54 33.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.85 -25.37 4.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 m -49.89 -67.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.789 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.53 -55.88 12.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -52.35 -36.96 54.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.62 -49.98 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.47 -58.64 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.6 tt -53.55 -42.94 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.11 -44.36 89.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -31.86 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.77 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 16.7 m -62.28 -30.31 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -83.44 -60.12 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.61 53.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -50.54 -40.04 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.74 137.21 41.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.09 -23.55 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.21 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -53.41 -56.55 15.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.93 -47.55 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -50.83 -46.3 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -37.07 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.83 73.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -84.06 -45.41 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -51.99 -38.13 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.3 -27.85 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.3 128.87 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -90.03 -24.18 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.02 -21.06 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 36.99 93.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.419 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 p30 -77.71 -12.73 60.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.12 19.02 8.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.525 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 t -167.89 169.0 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 111.157 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -131.32 122.11 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -89.9 168.12 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -41.91 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.95 -58.35 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.66 -64.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -40.94 31.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.87 -66.97 2.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.8 t -54.82 -36.61 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.68 -56.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 ttm -58.49 -41.7 85.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt-85 -69.89 -24.65 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -58.1 -20.44 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.37 20.15 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.48 -8.21 75.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -65.07 158.14 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.81 70.16 13.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.21 19.01 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.677 2.252 . . . . 0.0 112.354 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -110.26 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -48.58 -49.12 37.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.18 79.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.72 -56.21 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -53.63 -59.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -54.59 -36.36 64.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.07 -62.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpp -51.38 -56.78 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.0 mm -50.57 -62.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -56.43 -22.71 33.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.15 -25.61 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.7 26.04 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -107.47 115.55 30.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.08 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.59 -40.37 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.7 50.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -102.47 -20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.39 9.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.6 p -139.61 169.47 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mt -107.18 124.13 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.45 -178.13 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.408 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -66.78 -56.61 13.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 -33.82 15.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -51.39 -66.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -49.81 -49.12 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -45.54 62.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.5 m -64.78 -41.94 95.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.54 -54.35 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.15 -31.95 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.13 -19.92 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -54.07 -27.94 35.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -60.9 -19.09 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.5 ttm -53.84 -26.93 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -51.48 -30.54 20.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.53 175.76 9.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -61.28 -39.54 90.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.69 39.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 p -97.06 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.25 -50.08 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -50.19 -57.43 7.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -54.31 -51.02 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.7 mt -51.61 -71.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -47.97 -38.87 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.44 -41.13 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.69 -60.79 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -57.28 -24.78 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -76.13 -44.82 36.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.98 -22.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -77.81 -38.41 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -84.89 90.48 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -51.7 -61.01 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -69.95 -20.74 63.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.26 37.06 94.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -69.52 -19.36 63.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.78 13.92 18.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -153.55 129.53 10.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -96.74 121.32 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -97.3 167.03 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.61 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.26 -66.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -51.38 -55.96 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.58 -44.45 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -57.49 -51.74 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.08 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.11 -55.43 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ttm -71.87 -28.37 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 m -77.17 -34.26 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -55.39 -25.94 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -30.1 50.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 26.3 5.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -108.84 104.35 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -66.76 117.0 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.46 167.26 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.88 157.85 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.55 -39.75 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.37 -43.65 98.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.04 -69.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.41 -44.9 68.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.76 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -51.97 -36.1 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.7 ttt -54.92 -59.5 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.2 mm -60.72 -43.02 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.214 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -61.39 -28.52 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -90.32 -24.09 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.82 -29.37 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -104.5 115.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -22.84 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -21.83 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.72 42.48 91.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -94.11 -10.11 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.37 -2.81 29.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -118.16 130.8 56.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.94 115.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -93.41 -175.42 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.61 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.53 -31.69 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -84.69 -24.48 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -75.28 -34.23 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.49 -22.17 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.39 -20.77 31.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -62.66 -15.95 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.3 ttp -110.55 11.11 23.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.1 p -116.24 49.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 51.81 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.8 21.38 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.5 p -49.74 -50.11 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.7 t -93.36 19.37 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -110.65 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.51 32.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.74 -27.48 6.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.1 m -51.44 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -52.46 27.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -57.65 -35.54 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.11 -53.42 30.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 7.1 tt -56.89 -46.32 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -33.24 74.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.3 -47.47 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 7.3 m -66.17 -31.17 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -76.91 -51.19 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.83 -25.6 75.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -55.54 -38.3 69.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -107.43 114.93 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.58 -24.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.83 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -52.83 -63.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -56.66 -41.6 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -50.94 -53.15 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.63 -34.72 67.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.42 71.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -88.51 -40.06 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -54.45 -37.45 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.94 -22.63 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.24 -70.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -59.5 103.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -90.45 -23.33 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -20.51 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.45 50.8 47.3 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -19.86 13.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.21 30.15 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -156.07 164.12 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -134.22 122.44 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -88.63 162.94 16.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -40.3 64.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.46 -70.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -43.86 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.7 -64.97 3.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.0 m -53.08 -37.9 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.9 t -56.27 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.11 -42.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.39 -31.98 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -9.15 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.77 20.14 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.95 15.39 79.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -107.35 168.18 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -123.41 68.32 39.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.09 18.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -109.76 -179.77 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.93 -41.04 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.78 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.16 -50.6 73.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.01 -56.03 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.49 -38.21 66.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.8 -59.63 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.17 9.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.51 -55.29 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -60.89 -22.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -86.88 -22.88 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.47 23.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -138.59 105.12 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.87 -17.52 27.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -35.77 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.28 49.58 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.74 -21.2 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.84 11.37 55.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.56 142.5 32.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 mt -82.05 138.75 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.39 179.58 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -67.24 -56.87 11.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.66 -32.62 18.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -50.2 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -49.89 -43.51 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -46.56 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -65.52 -46.26 80.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.6 ttp -52.34 -52.88 50.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.41 -48.1 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.57 -30.08 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.46 -28.52 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.05 -25.98 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -25.7 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.18 -29.87 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.06 106.72 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.3 m -51.63 -31.74 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.0 103.94 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -85.0 3.12 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.66 -37.13 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -55.7 -59.76 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.47 -53.32 59.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.9 mt -49.57 -70.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -47.01 -46.08 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.39 -39.37 64.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.89 -19.8 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -82.4 -37.84 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.7 m -80.38 -23.32 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.38 -29.51 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.65 89.07 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -56.05 -52.73 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -69.62 -20.99 63.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.99 42.22 99.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.525 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -78.51 -16.57 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 6.11 28.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -151.81 141.09 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.63 132.38 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.7 m -108.56 165.29 11.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.41 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -71.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.87 -41.58 74.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.99 -57.58 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -53.21 -44.98 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -59.76 -46.1 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 t -50.5 -31.53 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.53 -60.23 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.95 -15.85 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.2 10.37 39.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.34 107.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -54.98 111.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.52 134.21 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.9 p -110.09 177.74 4.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -52.21 -35.85 50.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -63.8 -49.53 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.04 -64.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.46 -51.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.81 -28.31 63.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.28 -59.82 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.3 ptm -53.64 -38.07 63.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.4 mm -72.98 -44.86 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -62.9 -27.26 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.2 -40.24 12.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.91 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.07 98.42 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -14.35 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.28 -20.78 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.99 47.04 48.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.05 11.21 29.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.58 18.0 69.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -136.32 132.7 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.14 124.07 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -104.71 163.54 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.7 -42.22 88.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -49.28 -58.39 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.16 -25.92 58.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -56.19 -48.5 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 m -66.74 -22.96 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.23 -19.87 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.79 -16.11 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.15 10.92 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.3 p -109.53 29.78 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.76 21.25 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -50.76 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.75 -19.61 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.17 -177.21 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.12 34.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.51 -24.0 5.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 55.1 m -49.79 -67.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.27 -52.31 32.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -56.94 -29.82 63.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -61.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.794 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -49.4 -49.16 46.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 6.2 tt -63.9 -44.89 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.99 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.6 mt -67.2 -43.98 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.4 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 19.5 m -79.07 -25.35 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -81.26 -28.83 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -92.8 -49.81 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -50.98 -31.29 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -76.21 150.89 37.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.44 -22.31 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.62 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.06 -52.28 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.38 -42.77 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.36 -49.75 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.63 -38.55 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -51.2 -47.62 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.34 -28.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -58.05 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.12 110.51 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -84.1 -26.08 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 -20.18 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.52 40.37 97.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -20.81 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.13 12.51 19.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -150.31 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.155 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -136.35 120.98 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -93.58 170.64 9.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -40.85 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -55.69 -41.01 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.22 -69.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -52.84 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.17 -52.6 35.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -64.11 -30.52 71.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.03 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -67.04 -30.94 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -83.48 0.91 44.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -92.45 17.58 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.2 64.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -114.79 163.21 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -117.7 68.48 6.05 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.662 0.744 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.86 48.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -110.66 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.8 -28.57 65.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.74 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.71 -39.47 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.53 -59.2 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -51.65 -45.14 63.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.42 -54.71 43.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tpp -51.73 -59.82 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mm -51.5 -58.48 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -55.45 -25.38 36.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -83.78 -25.84 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -113.42 25.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -138.43 107.48 6.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.23 -16.36 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -40.5 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.77 49.51 3.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.36 6.16 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.9 30.57 70.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.2 p -140.75 149.22 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mt -100.34 122.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -76.4 -174.08 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.2 -60.2 3.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 110.839 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 53.4 Cg_endo -69.74 -29.47 23.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -50.84 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.88 -47.93 51.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.99 -50.95 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.2 m -58.52 -47.11 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 ttp -56.35 -41.23 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtp -70.78 -62.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.53 18.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -56.2 -26.99 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -20.73 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttt -56.09 -24.9 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -51.66 -30.3 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.98 163.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -70.46 -32.11 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.67 175.5 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 p -95.89 10.21 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -51.8 -38.5 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -55.59 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.38 -52.83 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.71 -70.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -46.89 -43.33 18.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -54.79 -41.11 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -60.74 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.94 -20.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -80.99 -44.25 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.76 -24.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -71.22 -57.77 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -70.68 91.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -49.14 -51.34 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.16 -20.41 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.41 35.8 61.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.8 -10.55 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.61 8.11 25.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -153.11 140.98 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.2 126.35 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 m -100.01 160.95 13.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.06 22.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.24 -54.38 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -61.26 -41.41 96.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.9 -64.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -51.15 -33.85 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -70.98 -41.85 70.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.2 t -64.9 -36.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.4 ttm -80.91 -31.38 35.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.9 m -77.18 -33.63 56.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.81 -52.69 47.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.42 29.86 5.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.441 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.95 108.27 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -77.76 112.47 14.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.59 173.28 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.42 161.34 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -51.59 -40.28 59.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -62.51 -39.84 94.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.91 -69.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.99 -44.38 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -51.2 -56.53 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.32 -40.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 mtp -52.46 -55.38 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.36 -41.96 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.06 -29.44 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.55 -37.46 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.95 -2.75 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.2 110.24 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.5 -47.54 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -20.71 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.42 48.04 72.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.29 -16.45 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.96 3.77 29.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -122.26 129.46 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 t -97.01 114.64 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -90.31 178.67 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -70.72 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -50.99 -34.2 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.52 -30.86 26.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.32 -56.34 17.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.19 -24.1 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -75.64 -18.96 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -73.26 -31.78 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -8.71 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.3 p -89.81 50.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.96 50.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.52 21.16 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.3 p -45.91 -49.87 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.9 p -92.56 -23.89 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.43 -176.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -84.74 34.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.37 -24.3 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.4 t -52.41 -70.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.47 -39.99 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . 0.438 ' HA ' ' CG2' ' A' ' 159' ' ' ILE . 96.3 m95 -67.34 -30.64 70.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.679 0.276 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -72.07 -46.85 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -64.21 -46.52 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 156' ' ' TRP . 7.6 tt -63.62 -47.78 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -66.29 -34.21 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.68 -36.96 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.54 -47.69 59.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.78 -41.99 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.66 -33.81 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -67.68 -47.86 59.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.61 93.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.053 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -115.22 111.44 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.65 -22.2 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.14 -48.14 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.65 -55.49 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -54.89 -48.7 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -50.58 -56.65 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.08 -41.29 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.33 82.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -48.58 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 t -51.3 -49.84 60.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -23.81 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -50.79 20.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -97.89 122.21 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -89.69 -30.23 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.16 -20.17 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.33 43.67 97.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -94.65 -20.1 19.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.9 29.17 5.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -169.2 163.1 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.43 123.83 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -89.35 161.23 16.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -41.18 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.85 -55.4 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.37 -62.07 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -49.64 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -60.48 7.57 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -59.28 -36.12 74.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.68 -60.89 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 ptp -65.39 -25.05 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -79.07 -24.53 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.56 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.84 20.41 7.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 0.18 89.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -77.06 147.94 36.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -114.22 72.44 2.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -110.39 175.27 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.88 -48.1 60.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.54 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -58.64 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -53.09 -55.76 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -55.11 -37.71 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.8 -62.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -51.57 -57.81 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.5 mm -50.78 -60.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -56.3 -24.2 41.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -83.65 -24.76 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -116.29 25.21 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -133.94 108.71 8.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.65 -16.11 29.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -40.21 18.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.65 18.82 29.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.47 5.28 35.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.7 30.63 69.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.8 p -134.43 165.44 25.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.744 0.307 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -106.46 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -173.88 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -69.95 -59.48 4.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.687 0.756 . . . . 0.0 110.901 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.77 -30.27 22.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -51.85 -66.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -50.56 -46.63 57.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.95 -51.08 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -60.13 -43.44 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.78 -62.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.1 ttp -59.7 -51.39 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.22 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -51.86 -52.52 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.92 -26.79 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -20.73 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -30.35 20.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -52.64 141.4 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.8 m -73.26 -54.23 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.62 119.64 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -96.16 9.51 40.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.18 -36.15 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -56.14 -60.02 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.75 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mm -48.79 -70.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -47.07 -48.68 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.29 -38.08 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HA ' HG23 ' A' ' 91' ' ' VAL . . . -66.61 -51.22 58.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.55 -19.13 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -35.01 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' A' ' 88' ' ' ALA . 33.2 m -80.4 -28.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -74.04 -41.88 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.6 90.63 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.81 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -69.33 -20.44 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.04 35.66 90.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.97 -20.52 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 15.6 11.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -153.67 138.27 16.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.9 119.55 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 m -98.17 -178.03 3.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.54 -28.21 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.32 -59.96 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.06 -44.31 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.36 -64.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -50.96 -35.22 32.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -66.05 -44.4 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.54 -38.84 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mmt -67.17 -61.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -53.15 -44.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.44 -45.19 62.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -26.56 68.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.24 30.48 3.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -126.69 89.9 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.38 130.63 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 169.63 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.1 161.8 15.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -51.64 -37.64 51.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.52 -38.55 90.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.61 -67.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.84 -50.29 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.16 -34.43 66.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.48 -63.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 ptm -51.36 -32.31 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.7 mm -70.94 -60.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -54.03 -27.36 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.15 -31.54 20.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.31 -21.86 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -110.31 120.1 41.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -17.56 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -21.71 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.03 43.83 94.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.56 -10.09 44.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.54 0.19 40.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -124.79 130.0 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -97.12 112.09 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.06 164.95 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.83 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -55.82 10.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -75.38 -28.94 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.98 -49.1 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.85 -21.59 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.8 -19.72 65.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.71 -17.23 54.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -110.41 10.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -111.25 34.92 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 107.59 50.85 0.78 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.47 21.22 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -49.14 -50.35 37.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 65.8 p -80.15 -13.78 58.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.98 -177.15 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.23 33.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.29 -25.98 4.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 t -49.82 -67.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.56 -52.34 24.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -55.76 -35.5 66.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -68.35 -40.76 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -53.03 28.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 6.1 tt -58.9 -45.02 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -33.96 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.9 mt -68.57 -36.0 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -46.27 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.29 -32.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -84.41 -31.3 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.47 -27.66 54.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.52 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.24 -40.11 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -121.13 -178.13 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.2 -22.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.7 -48.17 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -50.88 -65.46 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.17 -41.33 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -49.42 -58.43 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -66.51 -32.95 74.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.22 -51.58 64.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -77.62 -38.26 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -50.47 -48.4 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.9 -27.42 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.44 -18.55 65.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.61 102.04 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.92 -23.34 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.94 -20.74 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.14 46.92 92.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -77.78 -8.57 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.67 -1.34 45.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -164.57 165.49 21.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.12 132.98 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -95.01 163.88 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -42.18 31.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -58.66 -60.77 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.44 -55.13 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -49.54 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.45 -55.97 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -61.0 -34.42 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.77 -37.19 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.6 ptp -84.68 -19.63 32.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -90.16 -22.47 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -15.32 45.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.32 19.26 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 13.63 83.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.531 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -90.08 156.92 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -113.87 72.97 2.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 137.8 36.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.84 172.67 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -52.48 -44.65 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.72 -59.33 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.7 mt -51.97 -59.27 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -51.81 -41.67 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.13 -64.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 mtm -50.44 -59.85 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -49.25 -59.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.03 -27.45 32.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -80.19 -27.77 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 m -109.36 23.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -129.82 108.09 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.76 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.51 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 48.1 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.23 9.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.05 30.63 74.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -139.7 154.81 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.01 133.21 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -93.34 173.51 7.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.0 t80 -63.26 -55.04 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.5 Cg_endo -69.77 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.45 -58.27 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -55.8 -48.98 74.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -47.79 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.2 m -65.25 -42.0 93.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -53.22 -57.1 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.0 ptm -70.68 -33.4 70.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.48 -33.56 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.32 -30.73 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.07 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -51.72 -30.5 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -52.04 -29.85 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -109.61 102.62 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -60.32 -25.04 65.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.09 101.36 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -95.2 7.1 47.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.54 -36.34 44.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.11 -59.85 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.54 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 83.4 mt -49.36 -71.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -47.56 -46.17 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -53.14 -38.37 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -59.56 -19.76 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -81.87 -40.13 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.76 -24.28 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -73.27 -42.0 62.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.68 84.43 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -50.68 -53.17 33.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.1 -20.85 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.19 39.04 94.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -73.23 -16.12 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.12 4.75 29.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -151.9 134.72 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.5 mt -86.8 133.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.0 m -110.24 164.87 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.88 -19.53 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.12 -70.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.66 -42.79 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.18 -59.49 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -55.77 -42.25 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -62.98 -32.38 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.97 -44.59 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.3 mmt -65.47 -38.86 91.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -77.49 -33.86 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -52.16 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -21.3 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.22 -6.81 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.63 115.43 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -81.76 111.33 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.93 168.85 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.1 t -110.17 160.67 16.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.4 -36.44 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.88 -45.54 93.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.84 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.1 -42.39 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.44 -56.74 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.19 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttt -55.62 -48.39 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.2 mm -72.9 -50.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -56.07 -25.52 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.0 -39.31 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.87 -1.65 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -120.29 107.53 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.7 mt -62.97 -46.81 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -20.65 57.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.31 37.6 86.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.62 11.73 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.63 9.77 86.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -127.05 129.54 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.0 t -96.33 122.74 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -100.72 164.43 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.21 -52.34 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.68 -37.15 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.71 -28.95 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -63.14 -47.7 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.82 -24.86 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.28 -22.95 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.21 -14.07 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.9 ttp -110.54 10.95 23.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -120.61 48.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.76 50.95 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.76 21.03 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 57.5 p -48.48 -47.78 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 17.1 p -86.77 -14.82 41.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -79.24 -178.24 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.98 32.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.29 -26.4 6.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.4 m -50.89 -65.08 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.19 25.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.28 -47.32 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -61.06 -56.01 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 3.5 tt -57.35 -41.28 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.026 0.441 . . . . 0.0 111.192 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.27 -36.62 79.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.14 -35.41 78.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.95 -47.64 36.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.04 -33.52 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -82.23 -32.75 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.61 -26.52 58.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.39 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.19 -16.68 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.872 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -71.8 -21.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.59 -47.2 58.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.88 -55.05 22.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.65 -47.22 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -51.57 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -52.19 -42.63 63.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -51.54 65.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -62.22 -39.76 93.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -57.65 -50.4 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.69 -14.08 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.21 -69.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.45 141.39 58.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -85.31 -35.02 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.1 -20.76 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.78 50.41 66.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -81.35 -6.72 59.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.27 24.37 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -169.75 160.42 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.178 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -130.25 127.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -100.43 164.97 11.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 p -48.45 -34.28 10.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -59.15 -54.13 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.785 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 -44.94 40.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.71 -65.1 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -56.05 -37.99 70.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.33 -66.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.9 ptp -60.58 -27.69 67.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -74.55 -23.4 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -10.92 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -92.67 -5.15 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.19 8.94 37.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -122.0 97.99 5.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -75.93 113.42 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 163.62 37.67 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -110.99 167.05 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -51.36 -47.76 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.67 -66.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -49.56 -54.21 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.42 -42.58 74.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.28 -55.29 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.5 tpp -52.44 -59.44 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mm -49.26 -58.55 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -60.61 -21.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -85.17 -23.28 28.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.3 m -114.25 24.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.72 100.5 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.38 -18.34 61.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.93 -35.55 6.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 50.24 4.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.46 -20.71 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.12 13.9 23.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -145.28 158.64 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mt -93.52 136.38 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.86 -179.86 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.9 t80 -67.59 -57.17 10.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 53.9 Cg_endo -69.74 -33.85 15.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.67 -67.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -50.34 -50.09 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -46.03 36.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.6 m -66.91 -40.32 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ttp -56.27 -56.92 15.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.89 -32.96 73.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.54 71.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -59.54 -34.5 72.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -55.55 -27.18 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ttt -58.05 -26.03 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -52.18 -52.34 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.45 102.01 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -56.31 -24.84 46.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.79 102.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -90.17 -23.39 21.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -48.81 -36.1 15.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.35 -58.72 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.39 -55.97 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.7 mm -49.08 -69.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -46.56 -52.63 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -49.76 -36.86 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.74 -57.3 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -63.67 -19.35 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -34.36 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.81 -25.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -75.44 -25.26 57.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.47 91.06 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -54.08 -62.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -68.98 -20.52 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.92 36.17 81.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -71.43 -20.48 62.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.66 12.76 27.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -147.8 129.57 15.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.973 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.1 mt -93.05 113.4 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.1 m -96.93 167.6 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 -32.27 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.87 -64.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.25 -57.12 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -51.49 -42.06 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -58.8 -55.63 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.39 -26.75 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.56 -53.81 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mtm -77.72 -20.67 53.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -81.25 -39.87 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.45 -27.16 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.75 61.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.44 -15.11 30.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.69 116.18 17.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -80.61 123.57 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.27 162.82 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -109.14 162.35 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.21 -35.38 49.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.34 -40.2 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.17 -65.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.87 -47.2 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.51 -31.2 70.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.36 -63.23 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.3 ptm -51.49 -39.25 57.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -69.58 -49.66 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.0 -29.58 65.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.58 -27.49 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.7 9.36 24.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -120.78 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.5 -42.46 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -20.56 25.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.27 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -9.21 21.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.06 6.36 48.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -123.09 129.62 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 t -96.47 128.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -109.99 -169.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -73.02 -60.46 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.32 -28.18 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.69 -28.32 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -71.59 -33.42 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.89 -26.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.49 -20.92 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -65.1 -13.71 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 10.88 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 p -114.93 46.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.21 51.04 1.8 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.49 21.18 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -50.13 -50.25 49.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.64 -22.23 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -67.62 -177.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.43 33.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.25 -24.54 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -50.38 -67.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.28 -49.99 42.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -58.9 -29.84 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -71.4 -59.37 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -49.61 62.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.0 tt -62.9 -44.03 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -34.22 77.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -37.81 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.21 76.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 36.0 m -73.12 -38.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.34 -30.88 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -88.65 -23.22 36.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.88 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.714 0.292 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -113.81 -173.31 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.56 -22.49 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.78 60.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.55 -47.72 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -51.01 -57.99 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.79 -44.4 73.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.53 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.07 -66.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -52.07 -26.74 11.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -70.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -7.27 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -106.38 86.86 2.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -14.69 32.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.25 -20.61 37.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.82 58.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -20.39 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.22 26.12 22.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -153.95 167.93 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.1 135.17 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -100.24 170.75 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -59.77 -39.92 86.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -59.59 -39.91 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.51 -69.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.71 -47.46 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.81 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.61 -43.12 79.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.1 t -50.52 -62.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.1 ptp -61.84 -31.28 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -67.82 -27.7 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -13.42 59.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -93.67 20.07 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 17.59 79.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.14 152.3 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.28 67.3 6.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 156.94 61.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -111.21 163.27 14.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.54 -38.73 55.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.1 89.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.8 -54.93 41.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.82 -58.5 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.38 -38.23 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.56 -60.21 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mtt -51.4 -53.26 38.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.9 mm -50.27 -58.67 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.6 -16.73 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.37 -31.98 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 m -100.47 -14.82 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 102.2 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.43 -17.98 46.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -111.65 -40.41 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 50.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.78 -20.41 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 21.65 10.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 p -146.48 170.66 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 111.161 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -102.3 122.62 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.43 177.82 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.409 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -67.94 -56.68 10.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.84 -34.09 15.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.2 -61.37 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -57.66 -39.73 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -61.41 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -62.97 -34.8 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.2 ttp -53.74 -52.38 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 ptm -83.95 -19.62 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.11 -23.41 34.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.36 -25.93 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -81.16 -12.82 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttp -81.57 -0.08 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -55.27 -25.79 36.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t0 63.62 38.45 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -97.99 -33.81 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.71 83.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 m -77.65 -28.06 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.55 -47.37 57.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -58.1 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.15 -46.76 79.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.66 -71.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -48.2 -41.12 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -40.13 74.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -60.47 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.13 -21.41 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -79.95 -42.37 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.36 -24.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.95 -45.46 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.75 91.13 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -49.17 -63.04 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.98 -20.52 63.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.65 37.01 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.548 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -70.29 -13.24 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.44 8.7 24.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -152.22 143.45 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.34 113.51 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.9 m -86.04 167.17 15.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.76 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.44 25.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -59.71 -47.87 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.49 -63.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -50.63 -33.81 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -68.28 -44.28 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.09 -34.11 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.0 tpp -71.04 -58.25 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -56.91 -50.52 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -52.94 -34.87 57.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -28.88 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.19 27.11 4.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -108.47 177.92 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -114.98 112.33 22.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -147.75 132.66 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.2 p -106.49 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -50.9 -34.69 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.83 -54.86 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.72 -58.2 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.76 -53.19 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -56.34 -29.45 61.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -62.41 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -51.49 -37.01 47.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.51 -50.83 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -29.94 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -87.26 -35.01 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.07 3.83 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -121.13 133.46 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.5 mm -80.43 -44.58 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.198 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -20.38 28.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.01 40.12 95.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.83 6.29 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.8 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.87 3.48 83.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.576 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.89 129.75 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.35 116.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -95.17 160.84 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.89 -44.26 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -57.28 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.64 -22.39 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.66 -48.97 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.66 -28.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.26 -24.73 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -65.93 -25.04 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 mtp -94.75 -2.07 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 31.0 p -99.65 51.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.14 51.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.25 21.8 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -47.69 -48.77 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.5 t -100.11 -16.34 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.87 -177.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.69 33.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.95 5.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.407 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.4 p -49.44 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.8 -54.46 21.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -53.5 -34.03 56.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -67.76 -51.92 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -56.18 -53.68 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.1 tt -59.83 -42.83 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -62.34 -45.94 90.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.99 -50.36 71.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.65 -26.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -73.95 -57.35 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.06 -28.88 73.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.31 -31.22 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -109.36 119.64 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.71 -21.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.17 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.2 -50.8 58.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.41 -40.5 97.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -54.52 -58.15 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.66 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.52 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.92 -47.7 24.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.795 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -52.06 -49.44 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.06 -18.95 64.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -64.6 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.78 116.99 22.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.1 -22.42 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -20.22 33.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.0 49.41 59.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -97.1 -20.14 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 22.74 7.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -163.62 163.04 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.0 mt -127.66 124.3 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -94.59 168.09 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -54.2 -31.27 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -60.39 -49.08 79.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.66 -69.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -43.17 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.44 5.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.4 m -58.09 -37.17 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.84 -60.57 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.0 ptp -68.17 -19.91 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -74.86 -37.13 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 1.01 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.15 19.78 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 20.88 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -119.48 157.65 27.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -112.74 76.91 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 130.87 20.21 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.764 2.309 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -110.61 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.45 -48.1 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.4 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.62 -62.09 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.91 -54.32 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -53.99 -45.01 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -56.19 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mmt -50.45 -59.71 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mm -51.15 -58.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.26 -23.78 38.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.64 -25.03 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 m -116.69 26.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -136.09 105.34 6.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.94 -13.78 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -40.35 15.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 39.41 5.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.08 6.83 31.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.8 30.37 69.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.8 p -137.47 168.68 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 111.163 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -113.82 130.81 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -85.08 -177.17 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -68.82 -61.11 3.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.77 -27.66 26.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.04 -66.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -49.69 -44.43 48.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.14 -47.79 61.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -66.42 -45.2 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.237 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.4 ttp -51.28 -56.86 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.956 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.54 -50.18 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.97 -29.76 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -51.77 -31.33 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.49 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -59.02 -25.26 63.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -52.07 -30.43 25.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.46 160.27 20.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.9 t -102.81 10.2 38.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.62 98.58 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 p -88.27 -20.47 25.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 -36.48 46.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -56.47 -59.85 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -52.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.5 mm -50.74 -71.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -46.27 -43.45 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -55.53 -41.37 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -61.14 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -58.72 -21.03 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.06 -41.37 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -77.68 -22.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.22 -50.39 19.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.43 91.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -52.03 -64.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -69.4 -20.76 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.22 92.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.05 -18.28 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.26 17.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -152.65 140.85 20.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.999 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -99.78 120.37 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -95.91 179.96 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.54 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.44 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -58.72 -40.51 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.99 -63.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -51.09 -32.01 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -74.34 -41.12 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.32 -44.28 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mtm -73.85 -54.58 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.6 m -55.07 -32.62 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -56.53 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.26 -19.5 55.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.33 21.42 6.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.73 147.02 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -104.98 131.11 52.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -157.64 155.84 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -111.85 179.92 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.41 -41.28 76.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.68 -37.39 81.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -59.11 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 t -51.15 -45.92 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -60.53 -33.32 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.23 -62.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.5 ptm -51.19 -39.19 55.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.6 mm -70.64 -44.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -87.41 -41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.01 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -114.06 110.89 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -13.75 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.0 -20.55 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.36 39.0 70.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.77 1.33 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.61 5.95 68.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -130.2 133.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.65 106.67 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -85.28 165.11 17.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.45 -45.14 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -48.98 -48.15 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.69 -30.73 29.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -52.63 -51.24 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.68 -30.12 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -68.4 -21.64 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.58 -12.18 59.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.28 11.64 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -105.84 29.95 6.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.04 52.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.2 22.68 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.7 p -45.3 -50.12 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.6 t -76.24 -28.7 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.47 -176.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.28 34.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.13 -26.35 4.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.2 m -48.44 -67.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.67 -56.06 12.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -52.24 -35.1 48.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -52.74 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.82 -53.93 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.91 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -62.25 -36.32 81.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.06 -46.07 72.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.66 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.79 -31.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -75.59 -33.45 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.45 -47.23 8.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.48 -30.89 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.277 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -120.75 100.21 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.88 -21.37 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.99 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -43.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -67.94 -49.05 64.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -51.28 -42.26 61.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.04 -39.8 60.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -37.06 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -88.5 -43.11 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -51.11 -48.19 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.52 -23.38 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -62.07 1.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -83.09 111.73 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -88.73 -27.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.55 -20.14 61.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.56 47.03 92.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -99.82 -19.95 16.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.33 6.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -167.01 163.82 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.42 122.44 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -98.85 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -50.84 -32.19 19.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -60.91 -45.85 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.94 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.49 -43.68 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.11 -62.19 6.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 m -56.35 -29.51 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.27 -61.29 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -35.75 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -72.84 -31.02 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -76.18 -5.67 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.73 17.26 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 14.39 77.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -107.49 -177.26 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -134.93 74.53 63.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.05 55.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.744 2.296 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 p -110.38 166.77 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.09 -26.91 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.1 59.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.96 -47.77 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.1 -61.73 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -52.18 -41.21 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -57.26 -62.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.36 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.9 mm -51.02 -59.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.31 -23.32 47.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -84.25 -24.82 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.8 25.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -137.34 104.53 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.69 -15.34 30.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -40.74 16.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.05 43.28 4.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.63 4.0 23.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.91 30.25 69.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.413 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.3 p -137.58 160.14 39.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 111.148 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mt -111.67 139.55 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -95.67 -178.84 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.8 t80 -66.99 -56.82 12.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.7 Cg_endo -69.8 -35.69 12.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.661 2.241 . . . . 0.0 112.245 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -49.3 -66.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -50.9 -41.68 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -45.65 79.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 p -65.81 -46.9 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -52.9 -50.3 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -51.97 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.85 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -55.56 -25.73 39.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -65.41 -18.34 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.5 ttp -51.39 -30.49 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -51.7 -30.18 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -114.12 132.95 55.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 p -89.68 10.27 23.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.22 98.62 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 p -90.82 -22.76 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -58.54 -33.77 70.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.04 -61.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.74 -47.59 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mm -53.19 -71.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -47.42 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -53.69 -38.93 64.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.25 -60.72 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.22 -19.9 49.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -81.7 -41.78 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.35 -25.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -69.76 -43.85 71.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -84.02 90.88 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -50.03 -46.97 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.38 -20.06 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.17 35.48 60.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -70.39 -11.21 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.6 7.38 25.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -153.39 141.75 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.62 129.87 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -100.15 165.69 11.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.97 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.91 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.06 -46.11 85.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.46 -61.98 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -50.41 -31.75 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.31 -44.87 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.2 -29.06 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.0 tpp -86.95 -42.69 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.9 m -67.71 -45.96 73.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -59.44 -35.89 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -24.38 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.1 -17.29 32.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.9 107.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -63.01 140.39 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -156.25 158.06 36.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -50.57 -39.8 50.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.0 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.1 t -54.81 -47.96 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -51.05 -46.78 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.49 -37.07 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.3 mtp -60.38 -41.78 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.15 -44.48 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -62.0 -27.35 68.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -90.33 -40.83 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.66 63.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -104.53 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -13.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.18 -21.01 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.0 45.28 96.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.71 -16.89 23.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.56 6.33 35.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -140.32 132.09 27.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.1 t -88.15 130.12 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -109.86 164.82 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -65.61 -42.94 91.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -49.49 -49.28 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.82 -31.09 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -52.34 -48.09 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.69 -26.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -84.94 -20.3 30.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -63.69 -20.86 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.62 9.56 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.9 p -104.48 46.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 50.54 0.24 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.95 22.86 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 t -43.61 -39.24 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -97.37 -25.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.89 -176.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.71 33.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.96 -25.4 5.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.71 -57.39 12.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -52.55 -34.98 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -66.18 -48.89 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.72 -55.48 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 6.0 tt -56.54 -45.29 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.2 mt -65.48 -36.16 83.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.33 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.96 -36.11 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -55.73 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -62.55 -44.83 97.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -96.37 116.65 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.15 -22.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -43.33 63.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.08 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -52.12 -47.39 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -49.39 -55.31 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.01 -39.74 86.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.59 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.81 -58.23 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -63.2 -22.4 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -81.17 -16.11 53.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.29 96.69 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -90.28 -31.04 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.14 -22.85 62.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 50.97 13.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.45 -16.48 56.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 13.96 25.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -167.63 173.13 8.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.428 ' HB ' HG23 ' A' ' 63' ' ' ILE . 3.5 mp -138.4 133.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.4 t -100.41 174.8 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.0 p -57.44 -27.81 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.225 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -63.2 -52.8 60.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.47 -67.16 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.96 -52.49 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.87 -55.37 9.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.454 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.7 m -63.91 -28.27 69.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.07 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.2 t -70.28 -45.64 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 ptp -73.1 -31.2 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.35 -29.62 42.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 p -71.1 -8.73 55.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.14 18.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 10.71 57.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -106.95 156.41 18.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -118.62 66.92 7.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 157.85 58.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -111.81 178.42 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.48 -42.1 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.43 -46.18 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -58.61 -46.69 86.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.58 -60.77 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -53.06 -37.35 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.06 -60.19 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.8 mmm -52.15 -55.09 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.7 mm -51.68 -53.78 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.19 -26.87 66.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 -25.88 37.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -111.38 22.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.58 96.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -17.07 64.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -37.43 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 50.97 2.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -95.92 -20.86 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.22 19.32 9.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.7 p -150.88 168.64 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.84 133.18 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -95.95 175.85 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 11.2 t80 -64.96 -53.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.99 -51.71 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -55.5 -52.6 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -36.49 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -55.6 -51.92 65.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -53.23 52.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 -29.89 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.8 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -85.0 -10.53 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.9 tpt -60.74 -19.23 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -51.81 -29.9 21.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.71 109.82 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -66.25 -24.82 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.53 103.74 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -92.76 10.22 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -50.95 -46.07 60.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.29 -59.12 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -56.04 -47.07 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 83.5 mt -51.22 -71.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -48.56 -39.87 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.29 -39.94 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.52 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -59.37 -22.04 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -79.7 -43.44 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.85 -24.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.61 -38.86 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.56 84.22 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -59.81 -31.35 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -20.15 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.67 61.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.74 -20.4 63.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.45 9.95 30.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -152.1 135.87 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.4 mt -93.12 134.05 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -110.25 168.96 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.25 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.61 -71.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -57.04 -41.52 78.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.32 -59.01 5.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -54.26 -43.21 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.12 -31.04 72.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.2 t -70.99 -45.22 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.72 -19.84 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.6 m -86.29 -49.01 8.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -52.23 -34.65 46.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -30.19 59.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.82 20.55 7.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -88.96 96.35 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.88 138.17 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pp -146.8 162.3 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 t -109.98 167.44 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -51.92 -40.3 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.66 -38.9 92.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.99 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.0 t -57.08 -42.0 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -62.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.33 -34.18 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ttt -53.9 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.93 -39.05 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.77 -29.36 68.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -90.3 -44.17 9.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.72 -12.79 61.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -110.67 109.38 19.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pt -72.6 -31.12 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -20.14 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.67 38.54 77.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.14 13.27 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.97 13.77 72.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -131.88 129.91 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.34 110.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.75 162.86 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.3 -45.79 82.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.56 -49.4 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.14 -31.02 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.85 -46.38 67.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.3 m -71.06 -29.2 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.5 -21.78 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -62.39 -22.36 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ptm -101.49 -3.9 27.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.0 p -91.96 51.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.94 51.04 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -102.9 22.02 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -46.59 -35.11 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.2 p -104.75 -29.0 10.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.85 -177.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.56 33.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.99 -24.7 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 p -49.39 -67.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -55.39 15.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -53.22 -34.8 58.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -66.48 -51.34 57.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -56.14 -54.21 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.83 -44.75 94.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.08 -39.87 91.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -46.87 80.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.02 92.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.4 m -74.21 -25.11 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.27 -40.81 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -86.12 -28.03 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.72 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -130.15 99.65 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -85.03 -21.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -45.99 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.98 -48.25 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.94 -44.7 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -51.13 -49.75 60.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -43.6 74.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.3 61.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.9 -41.93 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 t -52.14 -49.98 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.58 -24.97 62.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.79 127.67 33.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.99 -22.04 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -20.21 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 50.3 69.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.15 -17.6 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 29.85 3.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -163.21 161.53 24.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mm -120.46 107.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -84.1 159.66 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -36.61 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -53.8 -55.47 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.32 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -46.59 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.92 -64.19 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.509 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.4 m -54.52 -32.31 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.37 -55.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.13 -36.98 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -82.66 0.42 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 20.47 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.85 18.54 80.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.48 HE22 ' NE2' ' A' ' 167' ' ' GLN . 11.3 tt0 -110.14 162.29 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -113.48 74.75 2.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.694 0.759 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.52 17.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -109.01 172.0 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.15 -41.29 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.69 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.22 -50.19 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.9 -57.17 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -52.78 -48.09 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.64 -61.0 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -48.32 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.02 -47.24 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -62.32 -24.68 67.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.08 -23.01 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -114.51 23.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -149.43 100.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.62 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -36.77 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.24 42.78 11.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.563 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -91.42 -21.19 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 9.64 48.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.86 145.25 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mt -85.2 136.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -80.34 -169.79 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -71.53 -60.87 2.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.61 -30.7 22.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -48.94 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -45.94 -43.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.1 -49.8 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.7 p -60.44 -46.36 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -53.64 -55.72 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -64.04 -50.13 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -22.34 44.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -56.65 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -74.03 -17.42 60.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.2 ttp -57.02 -24.83 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.58 -31.04 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.43 100.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -51.93 -39.65 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.5 109.11 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -93.17 10.91 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.04 -41.77 94.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -55.43 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.82 -48.4 81.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.2 mt -52.51 -69.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -47.04 -51.23 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.33 53.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.4 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -20.03 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -81.8 -39.2 24.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.03 -24.16 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.21 -33.08 69.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.66 90.48 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -23.31 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -23.14 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.94 51.03 25.91 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -90.53 -11.86 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.99 0.8 30.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -147.64 167.5 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -115.71 123.13 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -95.74 159.5 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.64 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.81 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -59.33 -42.91 92.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.73 -63.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.79 -34.0 18.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -76.07 -36.62 58.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.18 -39.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtm -82.48 -38.58 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -67.15 -44.37 79.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -56.87 -31.14 64.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -16.34 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.98 -5.27 30.55 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.09 101.06 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -66.08 121.27 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.54 160.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 t -110.13 163.76 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.51 -31.91 25.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.55 -43.77 96.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -65.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.7 -47.98 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.68 -33.33 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -68.97 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.0 ptm -51.05 -42.08 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.2 mm -68.04 -40.53 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -63.77 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.3 -37.37 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -11.13 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -119.4 104.95 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.31 -43.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -20.38 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.11 36.41 92.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.42 10.88 20.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 13.94 76.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -133.46 130.01 38.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -93.08 114.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -90.05 164.74 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -68.86 -46.02 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -48.82 -44.72 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -85.16 -33.18 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.61 -46.4 63.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.08 -29.36 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.51 -28.33 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -65.44 -24.38 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.9 tpt -96.78 4.79 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.8 p -107.68 50.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.56 51.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.7 21.83 8.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.7 t -46.38 -47.8 18.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.4 p -95.84 -27.95 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.11 33.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.3 -24.83 5.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 m -49.2 -69.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.02 -56.17 10.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -52.8 -34.88 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -51.72 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.1 tt -55.58 -43.82 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.36 -35.24 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.01 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.55 -34.07 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -83.59 -30.41 27.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -81.77 -50.4 4.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -56.66 -32.33 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.48 ' NE2' HE22 ' A' ' 41' ' ' GLN . 9.6 tp-100 -109.11 110.17 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.22 -23.3 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.14 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -51.89 -52.68 48.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.19 -44.39 95.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -50.73 -50.79 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.56 -51.09 60.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.6 15.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -90.93 -26.06 19.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 t -63.78 -50.46 68.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.41 138.97 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -83.95 -55.49 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -94.15 -21.06 19.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.74 49.63 67.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -79.4 -4.53 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.0 17.33 9.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.51 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -170.23 165.06 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.63 127.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -90.03 161.96 15.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -48.32 -34.84 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.2 -58.14 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -51.31 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.56 -51.35 60.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.27 -55.29 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -65.82 -34.38 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.06 -49.21 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -69.32 -47.82 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.8 -23.54 67.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -19.05 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.57 19.94 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -7.04 82.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.33 155.43 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -119.65 67.59 10.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.09 24.79 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -109.94 -179.3 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.38 -44.51 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.01 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.12 -59.19 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.8 -54.66 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.95 -38.48 62.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.25 -58.99 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.52 -59.03 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 mm -50.5 -60.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -57.32 -22.0 39.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -84.63 -25.3 28.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 m -119.68 25.96 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -134.88 105.18 6.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.79 -14.67 31.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -40.79 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 42.81 4.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.35 6.38 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.96 31.08 71.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -143.22 162.5 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.4 mt -102.56 133.13 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.2 -172.2 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.461 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -71.16 -60.57 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.72 -29.93 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -51.57 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -48.92 -57.16 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.19 -43.5 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.8 m -59.14 -47.6 84.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -58.96 -48.0 83.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.3 mtm -61.15 -59.44 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.24 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -56.83 -23.86 46.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -69.48 -11.26 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -27.27 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.13 -30.65 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -77.14 150.06 35.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.86 -45.85 3.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -64.19 132.6 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -99.91 -22.25 15.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.45 -38.76 45.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -56.49 -57.94 10.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.35 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.0 mm -49.5 -70.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -45.58 -46.07 14.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -53.17 -41.84 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.39 -21.52 36.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -78.87 -44.54 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.04 -23.7 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.2 -38.89 63.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.58 90.76 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.94 -48.34 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -20.74 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.81 34.67 90.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -69.95 -19.94 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.96 16.17 11.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -154.51 133.18 12.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -97.57 115.68 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -93.65 164.07 13.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.99 -30.21 33.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.81 -56.97 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.31 -42.14 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.11 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -29.75 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.3 -43.6 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.44 -42.09 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtm -75.22 -46.61 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 m -62.11 -29.07 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -20.48 56.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.39 -16.65 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 109.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 112.68 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mp -112.34 155.21 24.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.7 p -107.18 161.51 14.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -51.5 -36.38 44.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.18 -45.83 91.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -52.75 -68.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.55 -38.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.47 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -56.03 -35.49 66.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.3 mmm -53.52 -58.82 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.3 mm -67.12 -32.88 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -64.5 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -86.72 -41.88 13.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.96 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -97.2 98.97 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -13.47 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.92 -20.63 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.82 48.53 75.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -100.19 -7.9 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.02 8.57 61.56 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.75 132.71 29.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -90.22 132.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.48 166.51 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.77 -43.8 92.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.02 -53.52 19.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.16 -30.13 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -52.76 -48.74 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.8 -25.41 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.91 -22.08 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.36 -14.47 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.5 ttp -110.38 10.89 23.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.3 p -120.38 47.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.66 51.12 1.44 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -95.42 21.15 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.7 p -49.24 -49.97 40.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.9 p -82.93 -14.22 54.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.63 -177.37 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.75 33.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.91 -24.4 6.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.9 m -52.43 -67.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.58 -43.8 53.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -64.25 -29.96 71.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -71.74 -52.47 17.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.19 -48.54 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.3 tt -63.11 -43.94 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -66.23 -38.75 88.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.6 -43.07 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.15 -53.53 36.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.62 -34.39 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -77.09 -38.3 52.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.52 97.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.436 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -53.36 -27.55 24.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.735 0.302 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -90.22 72.28 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.47 -21.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.15 52.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -53.42 -47.88 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.0 -45.36 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -51.22 -51.21 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -72.5 -39.24 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.48 -38.35 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -85.99 -42.99 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 p -51.24 -45.76 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.02 -69.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -78.72 114.91 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -89.73 -24.24 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -20.05 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 48.49 65.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -98.04 -20.5 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 27.6 5.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -170.18 165.04 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.34 127.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -98.35 168.0 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.0 p -51.14 -32.16 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -54.95 40.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.53 -68.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.4 -39.76 33.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.46 -56.16 24.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 -31.68 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -63.75 -41.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.9 mtm -79.77 -36.56 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -27.51 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -78.52 -3.26 42.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.8 20.0 12.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 18.24 75.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -110.51 165.0 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -119.07 71.53 11.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.708 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.11 41.66 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.753 2.302 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -110.09 170.11 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.19 -36.93 53.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -56.78 -46.76 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -62.59 -60.47 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -51.76 -40.23 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -60.91 -58.35 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtt -51.21 -55.63 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.9 mm -50.56 -58.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.27 -21.75 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -83.52 -25.35 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 m -112.31 24.79 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.51 117.82 32.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.63 -16.88 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -40.03 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.73 50.33 2.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.36 -20.19 13.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 30.16 9.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 p -141.74 154.67 45.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.151 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mt -98.58 122.45 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -173.04 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.447 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.99 -59.78 4.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.81 -31.58 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -51.2 -64.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -51.3 -49.82 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -47.66 50.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.6 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttp -57.57 -57.75 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.85 -29.43 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.12 -26.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -55.0 -26.09 34.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -36.67 49.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.3 tpp -52.5 -29.58 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -37.49 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -64.0 147.39 52.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -54.49 -34.31 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -153.26 173.73 15.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -92.17 6.21 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.68 -46.43 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -49.92 -56.41 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.33 -48.26 79.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.6 mt -51.35 -70.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -48.64 -40.16 26.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.65 -39.5 77.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.92 -60.55 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.27 -22.54 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -78.96 -41.88 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 30.1 m -76.09 -23.47 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-30 -72.4 -47.79 46.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.82 90.23 2.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -55.99 -34.04 65.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.73 -20.42 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.78 28.08 67.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -69.91 -15.99 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.2 6.98 27.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -148.65 149.63 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.3 mt -105.73 123.98 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -94.7 161.96 13.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.07 -37.83 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.6 -59.57 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -51.97 -60.35 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 tp -50.64 -51.95 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -51.17 -55.72 16.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -53.93 -39.29 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.71 -42.85 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -71.28 -48.83 48.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -61.67 -46.86 87.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -50.29 -55.99 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -21.07 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.55 27.46 10.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 99.75 12.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -51.89 117.14 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 145.67 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.4 p -104.15 166.15 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -51.78 -42.94 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.06 -44.49 96.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -51.8 -70.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -53.45 -45.25 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.91 -54.78 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.27 -42.89 96.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.9 ttt -51.76 -56.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.6 mm -65.36 -34.39 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -29.28 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -89.66 -39.3 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.95 -18.52 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -111.94 102.52 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.71 -43.61 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -20.45 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.75 93.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.92 9.07 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.93 79.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.44 133.29 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.12 118.07 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -91.67 162.89 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.63 -46.0 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.96 -48.46 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.09 -27.75 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -38.86 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.0 m -72.58 -24.95 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.68 -19.85 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.72 -17.59 49.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ptm -110.36 11.12 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.2 p -109.74 28.82 8.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.51 51.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.13 21.61 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 m -48.48 -50.19 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -15.72 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.51 -177.05 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.3 33.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.58 -26.08 5.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.8 m -49.45 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.64 -54.42 21.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -53.62 -33.84 56.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -54.15 21.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.36 -54.71 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.1 tt -59.04 -43.89 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.71 -41.01 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.8 mt -64.52 -44.09 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.12 91.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 19.7 m -73.98 -23.91 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -78.21 -40.66 36.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -83.76 -30.46 29.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.94 -30.16 23.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.713 0.292 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -95.42 176.72 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -100.32 -27.91 13.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.5 -21.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.46 -47.88 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.53 -53.89 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.32 -51.45 68.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -50.36 -44.12 54.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.36 -45.73 82.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.46 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -61.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.67 -18.05 57.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -87.62 -40.52 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.95 93.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -90.43 -19.32 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -20.49 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.75 50.36 54.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.2 -20.53 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.48 21.07 25.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -149.74 164.55 34.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 mt -131.49 136.15 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -100.13 165.76 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.3 -41.08 65.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -55.21 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -45.3 53.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -64.55 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -55.14 -38.84 68.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.143 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.98 -45.59 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.0 mtt -68.93 -44.59 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -64.53 -24.03 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.3 m -60.22 -20.05 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.87 20.04 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 -4.31 79.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.523 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 159.1 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.731 0.301 . . . . 0.0 110.937 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.0 72.16 5.91 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 129.51 17.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -110.54 -179.75 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.65 -32.92 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -45.12 77.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.06 -54.71 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.02 -56.13 25.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.54 -40.29 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.14 -59.57 5.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.0 mm -51.09 -58.48 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.59 -22.24 43.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -86.08 -24.74 26.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -118.97 27.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -139.5 104.9 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.83 -14.89 30.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.91 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.77 44.69 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.76 6.01 23.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.82 30.44 69.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.0 p -139.57 156.04 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mt -102.62 117.36 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.91 179.16 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.9 t80 -66.88 -56.64 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -32.04 19.26 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.8 -65.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.29 -50.14 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -50.6 -41.17 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.3 m -68.47 -44.3 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -55.9 -44.49 78.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 mtp -76.92 -52.5 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.67 -28.22 8.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -54.08 -26.18 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -18.33 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.9 ttp -50.53 -30.96 14.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -52.34 -29.39 23.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.23 117.98 22.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -74.06 -9.81 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.81 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 p -99.34 -21.32 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.06 -40.04 57.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.47 -60.16 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -55.65 -55.09 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.3 mt -49.89 -70.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -46.38 21.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.31 -39.15 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.17 -61.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.18 -20.03 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -81.48 -40.5 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.97 -23.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -76.06 -26.77 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.45 90.67 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.26 -20.36 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.24 35.43 90.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -69.8 -20.2 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.31 15.69 16.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.424 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -154.09 129.82 10.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.1 mt -90.24 116.91 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -95.3 170.17 9.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.57 -33.31 71.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.63 -63.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -58.1 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.03 -47.76 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -52.1 -51.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.65 -34.9 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.4 t -62.15 -46.49 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.6 mmt -79.45 -23.98 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -76.01 -43.91 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -43.63 63.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -28.6 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.89 -19.59 27.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -54.92 112.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -68.37 115.8 8.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -118.49 150.3 39.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.59 164.08 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.64 -37.67 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.88 -40.54 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.82 -69.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.51 -46.22 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.23 -31.11 69.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.86 -62.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.3 ptm -51.05 -38.18 49.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.1 mm -72.13 -50.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -56.95 -28.7 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -90.24 -33.49 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.74 -1.6 51.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -119.66 106.74 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 28.7 mt -64.03 -45.45 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -20.51 58.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.39 37.92 86.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.29 12.19 21.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.77 11.83 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.74 129.65 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.44 134.3 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -110.28 -179.33 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.26 -58.03 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -50.64 -32.6 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -85.52 -30.57 23.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -64.34 -42.81 96.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.71 -26.03 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.9 -19.99 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -62.43 -16.67 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.7 ttm -110.8 10.88 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 p -113.38 50.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.77 51.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.18 21.2 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 11.0 p -49.19 -50.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.2 p -94.17 21.04 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -109.62 -177.63 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.67 32.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.73 -25.11 6.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -66.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.795 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.17 -52.52 31.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -55.55 -34.74 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -49.69 63.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -55.45 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.3 tt -57.99 -43.75 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -64.58 -36.52 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.26 -43.99 84.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.88 -49.93 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.97 -32.56 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -71.94 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -61.41 -29.66 72.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.07 -37.69 47.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -75.85 138.8 41.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -106.05 164.04 12.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 25.2 mttp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.8 mt -78.57 -21.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -42.37 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -52.03 -56.03 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -60.51 -42.66 96.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -51.38 -53.76 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.03 -45.9 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.39 -37.64 65.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -74.78 -46.18 38.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -52.96 -49.94 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.87 -13.33 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -87.14 120.15 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.93 -21.23 22.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.7 -20.39 22.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.07 46.79 76.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.82 -20.01 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.35 23.74 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -168.89 163.78 11.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mt -132.32 131.5 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -97.11 167.92 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.0 p -50.43 -32.03 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -60.73 -58.07 10.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.48 -67.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.33 -36.33 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.33 -65.34 3.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.452 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 t -60.05 -41.01 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.2 -46.72 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.4 ttp -68.1 -36.25 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.42 -23.21 60.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.0 m -60.95 -17.81 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.37 20.23 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.25 82.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -92.51 154.51 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.74 73.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.91 18.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 p -111.08 179.37 4.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -52.21 -35.94 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.72 74.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.87 -57.62 11.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.25 -50.16 73.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.33 -46.22 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.3 -60.18 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -60.3 2.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.2 mm -51.91 -55.49 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.89 -25.25 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -89.59 -20.27 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -118.79 30.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -144.17 106.31 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.28 29.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -40.81 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.15 47.27 3.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.18 11.99 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.52 30.66 72.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -150.73 163.46 38.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.5 tt -116.7 143.01 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -91.32 -176.1 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.82 -58.52 5.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.734 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.6 Cg_endo -69.77 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.75 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -27.05 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -78.69 -49.75 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -19.89 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 ttp -88.98 -56.62 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.6 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -54.38 -28.86 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.54 -24.6 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -25.94 40.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -52.05 -30.06 23.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.88 141.13 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -100.42 9.99 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -108.83 112.51 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.4 m -97.85 -19.21 18.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -54.73 -34.56 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -57.89 -62.0 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.71 -46.47 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.4 mm -52.41 -71.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -48.89 -45.23 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.66 -36.71 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.79 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -20.68 58.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -80.79 -41.21 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.6 m -76.37 -25.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -73.82 -32.85 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -87.93 90.47 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.12 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.12 -20.55 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.9 36.02 90.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -69.88 -20.12 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.04 13.66 20.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -153.67 129.6 10.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 98.0 mt -89.97 123.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 t -101.05 172.86 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -28.13 68.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -57.57 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -58.47 -44.58 89.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tp -64.13 -63.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.73 -31.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -73.85 -39.47 63.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.36 -41.33 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -48.96 27.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.6 m -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -55.94 -34.24 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -21.4 66.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.2 -18.35 28.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.44 135.56 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -92.67 128.4 38.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.61 164.81 13.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -110.03 162.15 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -51.9 -37.65 53.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -62.13 -37.68 86.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.04 -69.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.15 -46.31 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.14 -33.83 72.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.53 -62.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.5 ptm -51.58 -37.12 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -71.99 -42.9 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -63.34 -30.6 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.42 -30.59 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.92 -5.63 59.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -120.13 107.26 12.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -62.74 -46.56 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -20.5 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.57 90.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.5 11.04 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.07 86.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -127.33 129.79 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.77 132.19 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -110.44 -177.3 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.22 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -50.78 -31.47 17.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -87.5 -31.62 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -62.73 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 m -67.11 -25.37 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.65 -20.89 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -61.03 -17.74 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.7 ttp -108.76 10.48 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.4 p -111.79 49.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.45 50.9 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.86 21.31 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.2 t -49.53 -49.75 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.7 p -85.16 -11.28 55.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -77.88 -177.72 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.46 33.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.16 -26.15 4.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.434 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 m -49.97 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.77 -51.43 39.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -57.6 -29.84 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -48.44 55.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.6 tt -64.58 -43.95 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.86 -38.39 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 18.7 m -74.4 -30.64 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -74.51 -42.05 59.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.86 -32.59 36.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -50.71 -39.61 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -105.84 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.25 52.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.786 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.59 -23.2 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -45.39 62.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.99 -68.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.31 -42.52 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -51.49 -46.67 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.91 -38.92 69.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.09 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.67 -43.53 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 t -51.11 -47.58 61.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.09 -38.52 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -110.24 95.04 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -73.35 -25.15 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.91 -20.15 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.73 50.0 55.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.92 -20.25 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 29.67 6.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -169.44 162.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.66 122.27 52.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -96.39 168.95 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -38.31 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -58.6 -46.12 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.63 -68.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -43.3 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.05 -57.2 15.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 m -63.18 -31.49 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.66 -53.89 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 21.2 ptp -72.84 -29.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.36 -29.35 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -81.83 0.31 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.17 17.49 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.08 17.21 79.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.54 170.7 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -116.55 77.24 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 140.07 42.04 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.745 2.296 . . . . 0.0 112.384 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -110.37 174.05 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.65 -39.62 92.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.61 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.8 -50.5 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.75 -58.22 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.22 -39.38 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -61.66 -58.87 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.2 tpt -50.99 -54.78 21.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mm -51.31 -58.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.76 -20.69 61.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.41 -23.71 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.3 22.71 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -135.22 100.76 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -18.31 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.74 16.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.54 47.52 21.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -92.92 -20.89 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.94 11.63 36.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.16 150.83 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.36 135.13 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.79 179.07 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -67.62 -56.82 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.3 Cg_endo -69.82 -30.78 21.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.43 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -50.61 -50.78 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -41.04 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -66.11 -47.59 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.69 -50.82 67.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttp -68.08 -50.47 54.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.53 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -53.15 -28.54 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -58.07 -27.56 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.55 -31.06 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -32.36 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.39 132.64 40.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 m -88.01 -39.74 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -58.06 109.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -97.0 7.36 46.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.5 -40.89 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -59.89 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -53.48 56.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.72 -70.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.25 -43.69 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -55.07 -40.2 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.3 -60.88 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -59.64 -20.89 59.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -80.38 -40.15 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.02 -23.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.18 -21.15 46.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.98 91.24 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -48.7 -63.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.36 -20.33 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.03 36.4 92.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.99 -17.35 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.15 12.93 16.61 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -153.34 130.72 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.61 122.56 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -94.92 164.36 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.64 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.4 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -54.11 -62.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -51.97 -39.71 59.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -56.4 -56.12 25.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -65.73 -25.42 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.73 -47.54 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mtt -86.29 -19.6 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.3 m -81.87 -46.38 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.072 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -56.21 -32.65 64.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -21.19 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 -18.2 28.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.01 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -62.35 113.12 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.0 158.51 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.19 164.54 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -51.36 -32.84 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.12 -40.06 95.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.61 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.7 t -53.0 -47.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.16 -33.84 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.54 -62.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -52.41 -42.15 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.14 -35.73 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -68.01 -33.08 73.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -87.28 -30.42 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.19 -25.31 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.87 99.55 10.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.0 mt -65.64 -37.02 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -20.79 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.76 40.54 85.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.3 10.92 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.89 77.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.52 134.1 33.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.9 t -92.79 135.79 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -110.12 164.11 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.21 -47.06 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -48.32 -51.83 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.15 -30.52 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.2 -48.36 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.2 m -66.8 -22.49 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -62.91 -20.17 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -61.23 -17.45 53.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.8 mtm -109.89 11.06 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.2 p -111.08 32.42 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 109.41 51.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.98 21.04 7.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.6 t -48.76 -50.37 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.8 t -82.55 -15.54 51.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -78.44 -176.73 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.11 33.44 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.17 -26.11 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 22.8 t -49.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.22 -55.05 17.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -53.53 -33.12 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -53.41 25.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -55.12 -54.03 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.8 tt -59.56 -44.19 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -61.12 -42.78 99.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.86 -41.86 97.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.8 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 20.2 m -74.67 -23.81 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -82.32 -26.39 33.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -90.29 -41.17 5.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.54 -39.46 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.74 151.96 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -85.11 -68.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 28.2 mttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.34 -24.38 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.22 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -51.51 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.18 -42.13 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -51.32 -51.47 54.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.8 -33.97 66.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.9 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -85.61 -42.81 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -50.73 -47.43 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pp -67.14 -28.94 68.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -60.14 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.08 111.42 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -69.52 -25.85 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.14 -20.5 11.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 50.26 61.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -81.26 -6.61 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.88 17.37 9.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -170.23 163.43 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.078 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 mt -125.37 124.19 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -93.74 167.78 11.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.5 p -53.26 -31.8 45.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -59.32 -54.93 41.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.18 -68.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.817 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.15 -36.09 28.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.4 -62.91 5.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -63.63 -37.88 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.24 -37.38 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.5 ttp -73.22 -46.46 50.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -19.9 62.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -57.58 -22.29 44.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.51 20.49 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.59 18.16 62.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -91.85 162.95 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.65 67.44 49.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.39 21.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -110.74 179.74 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -51.77 -41.72 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.57 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.45 -59.52 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 mt -54.72 -54.46 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -55.19 -42.61 73.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.32 -59.96 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mtt -51.82 -57.7 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.0 mm -50.85 -59.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -57.49 -23.56 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -84.38 -23.84 29.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.1 m -116.69 25.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.93 103.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.47 -20.67 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -110.41 -40.21 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.65 50.61 2.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -103.01 -20.13 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.48 9.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 p -142.86 178.87 7.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.41 134.31 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -91.71 -175.51 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -68.28 -59.72 5.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.74 -32.0 19.5 Favored 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.747 2.298 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -51.07 -66.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.49 -49.7 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -39.51 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.7 m -69.51 -46.6 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -54.62 -44.45 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 ttp -75.86 -49.85 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.29 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -55.37 -30.5 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -24.67 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -28.43 26.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -51.84 -30.17 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -58.57 -178.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -97.5 -69.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -102.98 159.6 15.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -99.21 10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.77 -42.07 45.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.19 -56.66 14.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -58.19 -52.92 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 mm -49.36 -71.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -47.63 -45.77 28.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -53.11 -38.66 62.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 -61.27 2.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -59.96 -19.91 54.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -81.79 -38.32 25.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.1 m -80.49 -23.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.38 -46.24 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.31 90.59 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -50.06 -57.29 7.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -20.43 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.09 34.18 88.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.77 -19.53 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.26 15.85 11.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -154.59 129.88 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.9 mt -92.24 120.04 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -95.18 -179.89 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.84 -30.0 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.55 -58.88 5.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -58.87 -41.13 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.74 -63.18 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -51.6 -31.86 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -75.34 -37.91 60.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.7 t -65.44 -42.14 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.0 mtm -76.74 -43.86 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 m -65.01 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.72 -34.45 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -13.45 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.01 -14.28 31.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.42 157.74 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -116.78 156.61 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -159.08 158.14 32.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.23 170.26 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -51.99 -38.15 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.27 -39.54 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -58.31 -70.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.5 t -51.41 -47.69 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.7 -63.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ptm -50.72 -40.22 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -68.02 -47.53 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.64 -34.35 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -29.49 26.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.59 8.98 25.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -120.45 122.97 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.43 -42.63 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.5 -20.46 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.81 50.45 24.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.66 -15.95 16.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.13 4.71 29.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -119.8 129.47 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.81 122.92 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -105.26 -170.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -71.09 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.44 -28.61 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.4 -27.63 21.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -71.44 -42.27 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.37 -26.37 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.53 -21.7 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -63.17 -15.8 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.53 10.84 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.4 p -113.66 48.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.73 50.8 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.42 20.95 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.6 p -49.17 -50.41 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -83.62 -12.35 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -78.52 -177.64 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.78 33.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.28 -26.91 5.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 42.3 m -49.58 -65.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.23 -55.31 16.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -53.19 -35.22 59.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.49 -50.2 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -57.74 -55.25 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.69 -42.89 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -65.04 -38.98 92.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.57 -39.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.27 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.0 -29.77 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -73.22 -56.81 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.09 -24.83 74.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.23 -31.96 22.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -102.76 177.48 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -99.22 -39.9 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tttp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.18 -22.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.82 -49.7 58.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.17 -49.64 51.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -61.53 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -51.75 -45.85 63.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.49 -38.5 77.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.71 83.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.42 -44.08 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -51.46 -49.73 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -74.3 -17.34 60.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -136.43 144.23 44.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -90.6 0.93 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -21.05 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.11 48.89 38.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.415 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.38 -20.09 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.4 15.94 59.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.8 mp -134.35 124.32 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 165.91 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -49.14 -31.34 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -29.91 66.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.81 5.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.43 -43.62 93.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 68.7 t -54.14 -50.82 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 ttp -65.35 -45.0 85.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.47 -23.47 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.791 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -17.76 58.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.27 19.83 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.31 85.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -69.17 174.98 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -145.42 68.61 13.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.566 0.698 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.95 61.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -109.99 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.11 -49.33 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.61 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -58.28 -56.16 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.25 -57.46 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -52.17 -41.79 62.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.34 -60.18 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttt -49.9 -56.61 9.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.1 mm -49.37 -62.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -56.02 -23.65 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -83.19 -23.79 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.61 22.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -131.1 96.21 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -16.85 61.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -23.89 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.77 48.05 87.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -82.91 -19.75 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.31 8.12 25.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -147.31 169.45 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 mt -100.97 121.59 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.18 175.44 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.9 t80 -67.26 -56.54 12.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.415 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.83 -31.99 19.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -51.11 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -54.63 -39.42 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.2 m -78.92 -47.1 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -19.9 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -89.93 -56.75 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.64 34.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -54.11 -27.4 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.84 -21.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -51.74 -30.21 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -52.33 -29.82 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -94.64 101.54 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.9 p -64.92 -25.04 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.78 98.29 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -92.84 10.09 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -60.43 -33.36 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.807 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -59.67 -60.91 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.46 -47.82 84.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.9 mt -53.63 -70.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -46.98 -49.11 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -53.59 -37.23 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -60.92 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -21.52 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -80.06 -41.73 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.59 -23.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -72.55 -45.71 57.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -71.94 90.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.812 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -50.65 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -22.35 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.97 48.39 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.71 -14.08 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.53 8.76 24.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -152.46 147.56 26.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.0 mt -103.18 113.24 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -92.27 167.4 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.56 63.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.78 -67.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -51.57 -50.96 59.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -55.68 -51.26 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -62.6 -32.19 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.84 -58.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.85 -37.91 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.3 m -66.0 -32.7 74.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -47.98 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.87 -18.94 28.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 152.06 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -113.4 124.71 53.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 pp -127.95 165.57 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -110.58 163.81 13.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -51.55 -36.46 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -39.17 93.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -57.39 -68.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.79 -48.09 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.23 -30.12 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.33 -61.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.9 ptm -52.09 -33.69 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.07 -43.0 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -62.4 -28.35 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.58 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -103.83 102.91 12.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.13 -34.63 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.59 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.84 37.9 75.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.51 15.35 14.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.4 16.03 68.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -134.59 135.51 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.5 116.31 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -91.06 164.03 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.12 -46.35 81.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -48.36 -51.46 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.83 -29.21 44.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -54.18 -47.99 71.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.1 -24.13 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -60.07 -20.43 58.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.74 -16.13 56.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 ttp -110.2 11.09 23.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -114.14 40.99 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.48 50.88 1.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.58 21.07 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -50.33 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.2 t -81.06 -12.88 59.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -82.99 -177.26 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.54 33.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.85 -25.37 4.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 m -49.89 -67.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.789 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.53 -55.88 12.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -52.35 -36.96 54.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.62 -49.98 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -58.47 -58.64 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.6 tt -53.55 -42.94 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -65.11 -44.36 89.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -31.86 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.24 -53.77 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 16.7 m -62.28 -30.31 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -83.44 -60.12 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.61 53.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -50.54 -40.04 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.74 137.21 41.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -62.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.09 -23.55 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.21 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -53.41 -56.55 15.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.93 -47.55 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -50.83 -46.3 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.69 -37.07 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.83 73.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -84.06 -45.41 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -51.99 -38.13 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.3 -27.85 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.3 128.87 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -90.03 -24.18 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.02 -21.06 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 36.99 93.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.419 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 p30 -77.71 -12.73 60.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.12 19.02 8.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.525 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 t -167.89 169.0 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 111.157 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -131.32 122.11 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -89.9 168.12 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -41.91 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.95 -58.35 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.66 -64.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.9 -40.94 31.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.87 -66.97 2.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.8 t -54.82 -36.61 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.68 -56.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.5 ttm -58.49 -41.7 85.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt-85 -69.89 -24.65 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -58.1 -20.44 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.37 20.15 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.48 -8.21 75.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -65.07 158.14 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.81 70.16 13.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.21 19.01 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.677 2.252 . . . . 0.0 112.354 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -110.26 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -48.58 -49.12 37.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.18 79.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.72 -56.21 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.1 mt -53.63 -59.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -54.59 -36.36 64.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.07 -62.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 tpp -51.38 -56.78 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 34.0 mm -50.57 -62.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -56.43 -22.71 33.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.15 -25.61 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.7 26.04 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -107.47 115.55 30.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.08 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.59 -40.37 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.7 50.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -102.47 -20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.39 9.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.6 p -139.61 169.47 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mt -107.18 124.13 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.45 -178.13 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -66.78 -56.61 13.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 -33.82 15.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -51.39 -66.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -49.81 -49.12 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -45.54 62.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.5 m -64.78 -41.94 95.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.54 -54.35 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.15 -31.95 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.13 -19.92 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -54.07 -27.94 35.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -60.9 -19.09 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.5 ttm -53.84 -26.93 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -51.48 -30.54 20.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.53 175.76 9.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -61.28 -39.54 90.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.69 39.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 p -97.06 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.25 -50.08 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -50.19 -57.43 7.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -54.31 -51.02 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.7 mt -51.61 -71.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -47.97 -38.87 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.44 -41.13 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.69 -60.79 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -57.28 -24.78 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -76.13 -44.82 36.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.7 m -73.98 -22.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -77.81 -38.41 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -84.89 90.48 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -51.7 -61.01 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -69.95 -20.74 63.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.26 37.06 94.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -69.52 -19.36 63.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.78 13.92 18.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -153.55 129.53 10.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -96.74 121.32 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -97.3 167.03 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.61 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.26 -66.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -51.38 -55.96 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -51.58 -44.45 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -57.49 -51.74 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.08 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.9 t -68.11 -55.43 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ttm -71.87 -28.37 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 m -77.17 -34.26 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -55.39 -25.94 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -30.1 50.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 26.3 5.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -108.84 104.35 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -66.76 117.0 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.46 167.26 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.88 157.85 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.55 -39.75 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.37 -43.65 98.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.04 -69.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.2 t -54.41 -44.9 68.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.76 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -51.97 -36.1 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.7 ttt -54.92 -59.5 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.2 mm -60.72 -43.02 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.214 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -61.39 -28.52 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -90.32 -24.09 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.82 -29.37 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -104.5 115.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -22.84 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -21.83 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.72 42.48 91.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -94.11 -10.11 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.37 -2.81 29.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -118.16 130.8 56.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.8 t -104.94 115.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -93.41 -175.42 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.61 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.53 -31.69 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -84.69 -24.48 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -75.28 -34.23 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.49 -22.17 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.39 -20.77 31.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -62.66 -15.95 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.3 ttp -110.55 11.11 23.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.1 p -116.24 49.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 51.81 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.8 21.38 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.061 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.5 p -49.74 -50.11 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.7 t -93.36 19.37 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -110.65 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.51 32.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.74 -27.48 6.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.1 m -51.44 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -52.46 27.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -57.65 -35.54 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.11 -53.42 30.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 7.1 tt -56.89 -46.32 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -33.24 74.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.3 -47.47 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 7.3 m -66.17 -31.17 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -76.91 -51.19 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.83 -25.6 75.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -55.54 -38.3 69.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -107.43 114.93 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -62.75 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.58 -24.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.83 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -52.83 -63.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -56.66 -41.6 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -50.94 -53.15 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.63 -34.72 67.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.42 71.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -88.51 -40.06 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -54.45 -37.45 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.94 -22.63 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.24 -70.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -59.5 103.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -90.45 -23.33 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -20.51 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.45 50.8 47.3 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -19.86 13.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.21 30.15 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -156.07 164.12 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -134.22 122.44 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -88.63 162.94 16.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -40.3 64.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.46 -70.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.49 -43.86 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.7 -64.97 3.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.0 m -53.08 -37.9 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.9 t -56.27 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.11 -42.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.39 -31.98 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -9.15 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.77 20.14 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.95 15.39 79.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -107.35 168.18 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -123.41 68.32 39.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.09 18.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -109.76 -179.77 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.93 -41.04 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.78 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.16 -50.6 73.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.01 -56.03 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.49 -38.21 66.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.8 -59.63 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.17 9.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.51 -55.29 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -60.89 -22.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -86.88 -22.88 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.47 23.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -138.59 105.12 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.87 -17.52 27.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -35.77 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.28 49.58 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.74 -21.2 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.84 11.37 55.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.56 142.5 32.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 mt -82.05 138.75 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.39 179.58 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -67.24 -56.87 11.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.66 -32.62 18.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -50.2 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -49.89 -43.51 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -46.56 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.0 p -65.52 -46.26 80.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.6 ttp -52.34 -52.88 50.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.41 -48.1 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.57 -30.08 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.46 -28.52 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.05 -25.98 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -25.7 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.18 -29.87 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.06 106.72 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.3 m -51.63 -31.74 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.0 103.94 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -85.0 3.12 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.66 -37.13 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -55.7 -59.76 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.47 -53.32 59.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.9 mt -49.57 -70.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -47.01 -46.08 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -53.39 -39.37 64.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.89 -19.8 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -82.4 -37.84 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.7 m -80.38 -23.32 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -72.38 -29.51 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.65 89.07 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -56.05 -52.73 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -69.62 -20.99 63.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.99 42.22 99.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.525 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -78.51 -16.57 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 6.11 28.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -151.81 141.09 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.63 132.38 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.7 m -108.56 165.29 11.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.41 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -71.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.87 -41.58 74.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.7 tp -57.99 -57.58 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -53.21 -44.98 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.3 t -59.76 -46.1 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 t -50.5 -31.53 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.53 -60.23 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.95 -15.85 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.2 10.37 39.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.34 107.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -54.98 111.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.52 134.21 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.9 p -110.09 177.74 4.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -52.21 -35.85 50.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -63.8 -49.53 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.04 -64.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -51.46 -51.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.81 -28.31 63.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.28 -59.82 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.3 ptm -53.64 -38.07 63.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.4 mm -72.98 -44.86 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -62.9 -27.26 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.2 -40.24 12.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.91 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.07 98.42 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -14.35 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.28 -20.78 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.99 47.04 48.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.05 11.21 29.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.58 18.0 69.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -136.32 132.7 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.14 124.07 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -104.71 163.54 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.7 -42.22 88.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -49.28 -58.39 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.16 -25.92 58.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -56.19 -48.5 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 m -66.74 -22.96 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.23 -19.87 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.79 -16.11 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.15 10.92 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.3 p -109.53 29.78 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -93.76 21.25 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -50.76 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.75 -19.61 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.17 -177.21 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.12 34.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.51 -24.0 5.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 55.1 m -49.79 -67.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.27 -52.31 32.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -56.94 -29.82 63.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -61.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.794 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -49.4 -49.16 46.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 6.2 tt -63.9 -44.89 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.99 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.6 mt -67.2 -43.98 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.4 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 19.5 m -79.07 -25.35 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -81.26 -28.83 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -92.8 -49.81 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -50.98 -31.29 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 111.094 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -76.21 150.89 37.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -112.54 169.09 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.44 -22.31 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.62 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.06 -52.28 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.38 -42.77 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.36 -49.75 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.63 -38.55 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.84 69.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -51.2 -47.62 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.34 -28.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -58.05 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.12 110.51 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -84.1 -26.08 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 -20.18 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.52 40.37 97.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -20.81 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.13 12.51 19.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -150.31 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.155 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -136.35 120.98 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -93.58 170.64 9.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -40.85 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -55.69 -41.01 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.22 -69.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -52.84 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.17 -52.6 35.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -64.11 -30.52 71.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.03 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -67.04 -30.94 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -83.48 0.91 44.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mp -92.45 17.58 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.2 64.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -114.79 163.21 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -117.7 68.48 6.05 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.662 0.744 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.86 48.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -110.66 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.8 -28.57 65.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.74 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.71 -39.47 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.53 -59.2 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -51.65 -45.14 63.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.42 -54.71 43.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tpp -51.73 -59.82 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.4 mm -51.5 -58.48 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -55.45 -25.38 36.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -83.78 -25.84 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.2 m -113.42 25.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -138.43 107.48 6.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.23 -16.36 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -40.5 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.77 49.51 3.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.36 6.16 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.9 30.57 70.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.2 p -140.75 149.22 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.9 mt -100.34 122.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -76.4 -174.08 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.449 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.2 -60.2 3.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 110.839 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.449 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 53.4 Cg_endo -69.74 -29.47 23.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -50.84 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.88 -47.93 51.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.99 -50.95 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.2 m -58.52 -47.11 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 ttp -56.35 -41.23 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtp -70.78 -62.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.53 18.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -56.2 -26.99 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -20.73 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttt -56.09 -24.9 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -51.66 -30.3 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.98 163.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -70.46 -32.11 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.67 175.5 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 p -95.89 10.21 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -51.8 -38.5 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -55.59 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.38 -52.83 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.71 -70.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -46.89 -43.33 18.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -54.79 -41.11 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -60.74 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.94 -20.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -80.99 -44.25 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -72.76 -24.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -71.22 -57.77 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -70.68 91.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -49.14 -51.34 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.16 -20.41 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.41 35.8 61.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.8 -10.55 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.61 8.11 25.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -153.11 140.98 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.2 126.35 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 m -100.01 160.95 13.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.06 22.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.24 -54.38 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -61.26 -41.41 96.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.9 -64.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.811 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -51.15 -33.85 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -70.98 -41.85 70.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.2 t -64.9 -36.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.4 ttm -80.91 -31.38 35.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.9 m -77.18 -33.63 56.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.81 -52.69 47.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.42 29.86 5.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.441 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.95 108.27 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -77.76 112.47 14.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.59 173.28 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.42 161.34 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -51.59 -40.28 59.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -62.51 -39.84 94.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.91 -69.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.99 -44.38 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -51.2 -56.53 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.32 -40.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.7 mtp -52.46 -55.38 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.36 -41.96 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.06 -29.44 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.55 -37.46 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.95 -2.75 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.2 110.24 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.6 mt -62.5 -47.54 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -20.71 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.42 48.04 72.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.29 -16.45 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.96 3.77 29.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -122.26 129.46 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 t -97.01 114.64 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -90.31 178.67 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -70.72 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -50.99 -34.2 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.52 -30.86 26.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.32 -56.34 17.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.19 -24.1 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -75.64 -18.96 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -73.26 -31.78 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -8.71 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.3 p -89.81 50.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.96 50.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.52 21.16 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.3 p -45.91 -49.87 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.9 p -92.56 -23.89 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.43 -176.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -84.74 34.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.37 -24.3 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.4 t -52.41 -70.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.47 -39.99 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . 0.438 ' HA ' ' CG2' ' A' ' 159' ' ' ILE . 96.3 m95 -67.34 -30.64 70.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.679 0.276 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -72.07 -46.85 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -64.21 -46.52 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . 0.438 ' CG2' ' HA ' ' A' ' 156' ' ' TRP . 7.6 tt -63.62 -47.78 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.1 ptpp? -66.29 -34.21 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.68 -36.96 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.54 -47.69 59.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.78 -41.99 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.173 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -72.66 -33.81 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -67.68 -47.86 59.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.61 93.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.053 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -115.22 111.44 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -107.0 171.73 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.65 -22.2 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.14 -48.14 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.65 -55.49 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -54.89 -48.7 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -50.58 -56.65 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.08 -41.29 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.33 82.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -48.58 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 t -51.3 -49.84 60.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -23.81 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -50.79 20.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -97.89 122.21 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -89.69 -30.23 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.16 -20.17 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.33 43.67 97.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -94.65 -20.1 19.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.9 29.17 5.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -169.2 163.1 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.43 123.83 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -89.35 161.23 16.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.33 -41.18 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.85 -55.4 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -56.37 -62.07 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -49.64 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -60.48 7.57 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -59.28 -36.12 74.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -59.68 -60.89 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 ptp -65.39 -25.05 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -79.07 -24.53 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.56 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.84 20.41 7.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 0.18 89.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -77.06 147.94 36.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -114.22 72.44 2.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -110.39 175.27 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.88 -48.1 60.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.54 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -58.64 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -53.09 -55.76 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -55.11 -37.71 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.8 -62.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -51.57 -57.81 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.5 mm -50.78 -60.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -56.3 -24.2 41.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -83.65 -24.76 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -116.29 25.21 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -133.94 108.71 8.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.65 -16.11 29.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -40.21 18.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.65 18.82 29.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.47 5.28 35.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.7 30.63 69.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.8 p -134.43 165.44 25.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.744 0.307 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -106.46 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -173.88 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.443 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -69.95 -59.48 4.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.687 0.756 . . . . 0.0 110.901 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.77 -30.27 22.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -51.85 -66.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -50.56 -46.63 57.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.95 -51.08 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -60.13 -43.44 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.78 -62.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.1 ttp -59.7 -51.39 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.22 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -51.86 -52.52 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.92 -26.79 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -20.73 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -30.35 20.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -52.64 141.4 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.8 m -73.26 -54.23 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.62 119.64 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -96.16 9.51 40.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.18 -36.15 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -56.14 -60.02 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.75 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.8 mm -48.79 -70.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -47.07 -48.68 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -51.29 -38.08 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HA ' HG23 ' A' ' 91' ' ' VAL . . . -66.61 -51.22 58.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.55 -19.13 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -35.01 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' A' ' 88' ' ' ALA . 33.2 m -80.4 -28.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.2 m-30 -74.04 -41.88 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.6 90.63 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.81 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -69.33 -20.44 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.04 35.66 90.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.97 -20.52 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 15.6 11.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -153.67 138.27 16.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -100.9 119.55 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 m -98.17 -178.03 3.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.54 -28.21 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.32 -59.96 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -60.06 -44.31 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.36 -64.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -50.96 -35.22 32.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -66.05 -44.4 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.54 -38.84 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mmt -67.17 -61.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.5 p -53.15 -44.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.44 -45.19 62.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -26.56 68.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.24 30.48 3.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -126.69 89.9 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.38 130.63 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 169.63 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.1 161.8 15.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -51.64 -37.64 51.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.52 -38.55 90.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.61 -67.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.84 -50.29 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.16 -34.43 66.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.48 -63.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 ptm -51.36 -32.31 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.7 mm -70.94 -60.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -54.03 -27.36 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.15 -31.54 20.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.31 -21.86 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -110.31 120.1 41.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -17.56 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -21.71 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.03 43.83 94.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.56 -10.09 44.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.54 0.19 40.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -124.79 130.0 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -97.12 112.09 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.06 164.95 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -62.83 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -55.82 10.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -75.38 -28.94 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.98 -49.1 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.85 -21.59 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.8 -19.72 65.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.71 -17.23 54.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -110.41 10.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -111.25 34.92 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 107.59 50.85 0.78 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.47 21.22 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -49.14 -50.35 37.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 65.8 p -80.15 -13.78 58.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.98 -177.15 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.23 33.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.29 -25.98 4.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 t -49.82 -67.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.56 -52.34 24.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -55.76 -35.5 66.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -68.35 -40.76 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -53.03 28.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 6.1 tt -58.9 -45.02 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.96 -33.96 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.9 mt -68.57 -36.0 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.44 -46.27 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 11.7 m -67.29 -32.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -84.41 -31.3 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.47 -27.66 54.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.52 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.24 -40.11 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -121.13 -178.13 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -93.61 -69.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.2 -22.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.7 -48.17 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -50.88 -65.46 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.17 -41.33 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -49.42 -58.43 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -66.51 -32.95 74.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.22 -51.58 64.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -77.62 -38.26 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -50.47 -48.4 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.9 -27.42 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -66.44 -18.55 65.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.61 102.04 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.92 -23.34 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.94 -20.74 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.14 46.92 92.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -77.78 -8.57 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.67 -1.34 45.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -164.57 165.49 21.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -127.12 132.98 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -95.01 163.88 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -42.18 31.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -58.66 -60.77 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -53.44 -55.13 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -49.54 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.45 -55.97 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -61.0 -34.42 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.77 -37.19 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.6 ptp -84.68 -19.63 32.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -90.16 -22.47 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -15.32 45.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.32 19.26 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 13.63 83.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.531 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -90.08 156.92 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -113.87 72.97 2.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 137.8 36.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.84 172.67 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -52.48 -44.65 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.72 -59.33 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.7 mt -51.97 -59.27 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -51.81 -41.67 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.13 -64.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 mtm -50.44 -59.85 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mm -49.25 -59.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.03 -27.45 32.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -80.19 -27.77 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.4 m -109.36 23.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -129.82 108.09 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.76 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.51 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 48.1 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.23 9.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.05 30.63 74.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -139.7 154.81 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.01 133.21 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -93.34 173.51 7.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.0 t80 -63.26 -55.04 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.5 Cg_endo -69.77 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.45 -58.27 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -55.8 -48.98 74.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -47.79 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.2 m -65.25 -42.0 93.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -53.22 -57.1 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.0 ptm -70.68 -33.4 70.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.48 -33.56 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.32 -30.73 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.07 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -51.72 -30.5 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -52.04 -29.85 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -109.61 102.62 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -60.32 -25.04 65.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.09 101.36 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -95.2 7.1 47.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.54 -36.34 44.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.11 -59.85 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.54 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 83.4 mt -49.36 -71.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -47.56 -46.17 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -53.14 -38.37 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -59.56 -19.76 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -81.87 -40.13 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.76 -24.28 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -73.27 -42.0 62.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.68 84.43 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -50.68 -53.17 33.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.1 -20.85 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.19 39.04 94.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -73.23 -16.12 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.12 4.75 29.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -151.9 134.72 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.5 mt -86.8 133.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.0 m -110.24 164.87 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.88 -19.53 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.12 -70.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.66 -42.79 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.7 tp -55.18 -59.49 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -55.77 -42.25 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -62.98 -32.38 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.97 -44.59 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.3 mmt -65.47 -38.86 91.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.9 t -77.49 -33.86 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -52.16 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -21.3 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.22 -6.81 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.63 115.43 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -81.76 111.33 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.93 168.85 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.1 t -110.17 160.67 16.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.4 -36.44 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.88 -45.54 93.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -51.84 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.1 -42.39 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.44 -56.74 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.19 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttt -55.62 -48.39 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.2 mm -72.9 -50.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -56.07 -25.52 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.0 -39.31 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.87 -1.65 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -120.29 107.53 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.7 mt -62.97 -46.81 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -20.65 57.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.31 37.6 86.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.62 11.73 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.63 9.77 86.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -127.05 129.54 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.0 t -96.33 122.74 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -100.72 164.43 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.21 -52.34 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.68 -37.15 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.71 -28.95 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -63.14 -47.7 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.82 -24.86 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.28 -22.95 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -65.21 -14.07 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.9 ttp -110.54 10.95 23.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -120.61 48.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.76 50.95 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.76 21.03 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 57.5 p -48.48 -47.78 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 17.1 p -86.77 -14.82 41.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -79.24 -178.24 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.98 32.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.29 -26.4 6.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.4 m -50.89 -65.08 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.19 25.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.905 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.28 -47.32 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -61.06 -56.01 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 3.5 tt -57.35 -41.28 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.026 0.441 . . . . 0.0 111.192 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -68.27 -36.62 79.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.14 -35.41 78.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -73.95 -47.64 36.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 19.8 m -66.04 -33.52 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -82.23 -32.75 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.61 -26.52 58.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -72.08 -30.39 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.19 -16.68 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.43 131.1 28.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 15.6 pttm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -71.8 -21.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.59 -47.2 58.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.88 -55.05 22.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.65 -47.22 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -51.57 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -52.19 -42.63 63.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -51.54 65.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -62.22 -39.76 93.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -57.65 -50.4 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.69 -14.08 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.21 -69.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.45 141.39 58.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -85.31 -35.02 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.1 -20.76 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.78 50.41 66.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -81.35 -6.72 59.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.27 24.37 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -169.75 160.42 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.178 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -130.25 127.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -100.43 164.97 11.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 p -48.45 -34.28 10.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -59.15 -54.13 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.785 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.91 -44.94 40.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.71 -65.1 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -56.05 -37.99 70.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -54.33 -66.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.9 ptp -60.58 -27.69 67.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -74.55 -23.4 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -10.92 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -92.67 -5.15 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.19 8.94 37.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -122.0 97.99 5.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -75.93 113.42 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 163.62 37.67 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -110.99 167.05 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -51.36 -47.76 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -59.67 -66.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt -49.56 -54.21 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.42 -42.58 74.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.28 -55.29 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.5 tpp -52.44 -59.44 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mm -49.26 -58.55 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -60.61 -21.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -85.17 -23.28 28.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.3 m -114.25 24.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.72 100.5 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.38 -18.34 61.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.93 -35.55 6.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 50.24 4.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.46 -20.71 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.12 13.9 23.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -145.28 158.64 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mt -93.52 136.38 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.86 -179.86 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.9 t80 -67.59 -57.17 10.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 53.9 Cg_endo -69.74 -33.85 15.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.67 -67.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -50.34 -50.09 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -46.03 36.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.6 m -66.91 -40.32 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ttp -56.27 -56.92 15.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.89 -32.96 73.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.54 71.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -59.54 -34.5 72.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -55.55 -27.18 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ttt -58.05 -26.03 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -52.18 -52.34 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.45 102.01 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -56.31 -24.84 46.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.79 102.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -90.17 -23.39 21.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -48.81 -36.1 15.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.35 -58.72 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.39 -55.97 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.7 mm -49.08 -69.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -46.56 -52.63 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -49.76 -36.86 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.74 -57.3 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -63.67 -19.35 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -34.36 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.8 m -83.81 -25.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -75.44 -25.26 57.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.47 91.06 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -54.08 -62.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -68.98 -20.52 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.92 36.17 81.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -71.43 -20.48 62.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.66 12.76 27.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -147.8 129.57 15.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.973 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.1 mt -93.05 113.4 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.1 m -96.93 167.6 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 -32.27 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.87 -64.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.25 -57.12 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -51.49 -42.06 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -58.8 -55.63 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.39 -26.75 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 52.1 t -67.56 -53.81 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mtm -77.72 -20.67 53.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -81.25 -39.87 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.45 -27.16 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.75 61.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.44 -15.11 30.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.69 116.18 17.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -80.61 123.57 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.27 162.82 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -109.14 162.35 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.21 -35.38 49.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.34 -40.2 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.17 -65.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.5 t -53.87 -47.2 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.51 -31.2 70.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.36 -63.23 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.3 ptm -51.49 -39.25 57.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -69.58 -49.66 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.0 -29.58 65.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.58 -27.49 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.7 9.36 24.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -120.78 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.5 -42.46 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -20.56 25.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.27 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -9.21 21.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.06 6.36 48.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -123.09 129.62 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 t -96.47 128.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -109.99 -169.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -73.02 -60.46 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.32 -28.18 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.69 -28.32 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -71.59 -33.42 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.89 -26.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.49 -20.92 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -65.1 -13.71 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 10.88 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 p -114.93 46.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.21 51.04 1.8 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.49 21.18 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -50.13 -50.25 49.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.64 -22.23 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -67.62 -177.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.43 33.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.25 -24.54 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -50.38 -67.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.28 -49.99 42.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -58.9 -29.84 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -71.4 -59.37 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -49.61 62.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.0 tt -62.9 -44.03 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.37 -34.22 77.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -37.81 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -69.38 -41.21 76.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 36.0 m -73.12 -38.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.34 -30.88 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -88.65 -23.22 36.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.56 -38.88 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.714 0.292 . . . . 0.0 111.08 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -113.81 -173.31 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.05 -50.3 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.56 -22.49 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.78 60.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.55 -47.72 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -51.01 -57.99 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.79 -44.4 73.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.53 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.07 -66.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -52.07 -26.74 11.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.95 -70.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -7.27 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -106.38 86.86 2.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -14.69 32.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.25 -20.61 37.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.82 58.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -20.39 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.22 26.12 22.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -153.95 167.93 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.1 135.17 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.6 t -100.24 170.75 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -59.77 -39.92 86.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -59.59 -39.91 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -62.51 -69.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.71 -47.46 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.81 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.61 -43.12 79.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.1 t -50.52 -62.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 12.1 ptp -61.84 -31.28 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -67.82 -27.7 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -13.42 59.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -93.67 20.07 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 17.59 79.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.14 152.3 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.28 67.3 6.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 156.94 61.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -111.21 163.27 14.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.54 -38.73 55.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.1 89.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.8 -54.93 41.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.82 -58.5 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.38 -38.23 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.56 -60.21 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mtt -51.4 -53.26 38.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.9 mm -50.27 -58.67 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.6 -16.73 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.37 -31.98 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.9 m -100.47 -14.82 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 102.2 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.43 -17.98 46.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -111.65 -40.41 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 50.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.78 -20.41 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 21.65 10.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 p -146.48 170.66 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 111.161 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -102.3 122.62 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.43 177.82 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.409 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.9 t80 -67.94 -56.68 10.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.84 -34.09 15.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.2 -61.37 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -57.66 -39.73 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -61.41 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -62.97 -34.8 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.2 ttp -53.74 -52.38 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 ptm -83.95 -19.62 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.11 -23.41 34.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.36 -25.93 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -81.16 -12.82 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttp -81.57 -0.08 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -55.27 -25.79 36.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t0 63.62 38.45 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -97.99 -33.81 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.71 83.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 m -77.65 -28.06 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.55 -47.37 57.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -58.1 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.15 -46.76 79.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.66 -71.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -48.2 -41.12 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -40.13 74.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.15 -60.47 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -59.13 -21.41 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -79.95 -42.37 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.36 -24.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -71.95 -45.46 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.75 91.13 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -49.17 -63.04 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.98 -20.52 63.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.65 37.01 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.548 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -70.29 -13.24 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.44 8.7 24.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -152.22 143.45 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.8 mt -98.34 113.51 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.9 m -86.04 167.17 15.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.76 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.44 25.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -59.71 -47.87 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -61.49 -63.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -50.63 -33.81 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -68.28 -44.28 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.09 -34.11 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.0 tpp -71.04 -58.25 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 30.9 p -56.91 -50.52 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -52.94 -34.87 57.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -28.88 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.19 27.11 4.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -108.47 177.92 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -114.98 112.33 22.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -147.75 132.66 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.2 p -106.49 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -50.9 -34.69 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.83 -54.86 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.72 -58.2 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.3 t -53.76 -53.19 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -56.34 -29.45 61.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -62.41 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -51.49 -37.01 47.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.2 mm -70.51 -50.83 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -29.94 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -87.26 -35.01 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.07 3.83 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -121.13 133.46 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.5 mm -80.43 -44.58 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.198 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -20.38 28.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.01 40.12 95.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.83 6.29 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.8 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.87 3.48 83.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.576 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.89 129.75 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.35 116.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -95.17 160.84 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.89 -44.26 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -57.28 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.64 -22.39 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.66 -48.97 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.66 -28.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.26 -24.73 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -65.93 -25.04 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 mtp -94.75 -2.07 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 31.0 p -99.65 51.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.14 51.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -94.25 21.8 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -47.69 -48.77 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.5 t -100.11 -16.34 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.87 -177.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.69 33.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.95 5.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.407 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.4 p -49.44 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.8 -54.46 21.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -53.5 -34.03 56.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -67.76 -51.92 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -56.18 -53.68 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.1 tt -59.83 -42.83 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -62.34 -45.94 90.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.99 -50.36 71.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.6 m -67.65 -26.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -73.95 -57.35 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.06 -28.88 73.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.31 -31.22 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -109.36 119.64 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.4 8.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 14.7 tptt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.71 -21.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.17 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -51.2 -50.8 58.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.41 -40.5 97.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -54.52 -58.15 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -61.66 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.52 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.92 -47.7 24.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.795 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -52.06 -49.44 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.06 -18.95 64.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -64.6 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.78 116.99 22.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.1 -22.42 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -20.22 33.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.0 49.41 59.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -97.1 -20.14 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 22.74 7.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -163.62 163.04 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.0 mt -127.66 124.3 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -94.59 168.09 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 p -54.2 -31.27 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -60.39 -49.08 79.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.66 -69.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -43.17 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.44 5.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.4 m -58.09 -37.17 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.84 -60.57 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 22.0 ptp -68.17 -19.91 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -74.86 -37.13 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 1.01 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.15 19.78 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 20.88 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -119.48 157.65 27.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -112.74 76.91 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 130.87 20.21 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.764 2.309 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -110.61 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.45 -48.1 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.4 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.62 -62.09 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.0 mt -53.91 -54.32 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -53.99 -45.01 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -56.19 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mmt -50.45 -59.71 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mm -51.15 -58.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.26 -23.78 38.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.64 -25.03 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.3 m -116.69 26.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -136.09 105.34 6.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.94 -13.78 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -40.35 15.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 39.41 5.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.08 6.83 31.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.932 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.8 30.37 69.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.8 p -137.47 168.68 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 111.163 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mt -113.82 130.81 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -85.08 -177.17 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -68.82 -61.11 3.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.77 -27.66 26.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.04 -66.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -49.69 -44.43 48.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -51.14 -47.79 61.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 p -66.42 -45.2 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.237 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.4 ttp -51.28 -56.86 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.956 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.54 -50.18 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.97 -29.76 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -51.77 -31.33 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.49 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -59.02 -25.26 63.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -52.07 -30.43 25.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.46 160.27 20.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.9 t -102.81 10.2 38.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.62 98.58 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 p -88.27 -20.47 25.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 -36.48 46.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -56.47 -59.85 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -52.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.5 mm -50.74 -71.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -46.27 -43.45 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -55.53 -41.37 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.13 -61.14 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -58.72 -21.03 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.06 -41.37 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -77.68 -22.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.22 -50.39 19.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.43 91.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -52.03 -64.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -69.4 -20.76 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.22 92.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.05 -18.28 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.26 17.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -152.65 140.85 20.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.999 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.7 mt -99.78 120.37 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -95.91 179.96 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.54 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.44 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -58.72 -40.51 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.99 -63.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -51.09 -32.01 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -74.34 -41.12 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.8 t -62.32 -44.28 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mtm -73.85 -54.58 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.6 m -55.07 -32.62 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -56.53 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.26 -19.5 55.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.33 21.42 6.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.73 147.02 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -104.98 131.11 52.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -157.64 155.84 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -111.85 179.92 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.41 -41.28 76.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.68 -37.39 81.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -59.11 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.0 t -51.15 -45.92 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -60.53 -33.32 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -71.23 -62.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.5 ptm -51.19 -39.19 55.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.6 mm -70.64 -44.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -87.41 -41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.04 -24.01 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -114.06 110.89 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -13.75 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.0 -20.55 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.36 39.0 70.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.77 1.33 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.61 5.95 68.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -130.2 133.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.65 106.67 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -85.28 165.11 17.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.45 -45.14 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -48.98 -48.15 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.69 -30.73 29.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -52.63 -51.24 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.68 -30.12 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -68.4 -21.64 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.58 -12.18 59.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.28 11.64 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -105.84 29.95 6.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.04 52.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -100.2 22.68 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.7 p -45.3 -50.12 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.6 t -76.24 -28.7 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.47 -176.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.28 34.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.13 -26.35 4.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.2 m -48.44 -67.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.67 -56.06 12.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -52.24 -35.1 48.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -52.74 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -54.82 -53.93 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.91 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -62.25 -36.32 81.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.06 -46.07 72.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.66 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.79 -31.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -75.59 -33.45 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.45 -47.23 8.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.48 -30.89 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.277 . . . . 0.0 111.098 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -120.75 100.21 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.57 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.88 -21.37 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.99 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -43.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -67.94 -49.05 64.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -51.28 -42.26 61.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.04 -39.8 60.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.13 -37.06 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -88.5 -43.11 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -51.11 -48.19 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.52 -23.38 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -62.07 1.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -83.09 111.73 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -88.73 -27.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.55 -20.14 61.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.56 47.03 92.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -99.82 -19.95 16.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.33 6.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -167.01 163.82 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.7 mt -132.42 122.44 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -98.85 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -50.84 -32.19 19.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -60.91 -45.85 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.94 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.49 -43.68 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.11 -62.19 6.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 m -56.35 -29.51 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.27 -61.29 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -35.75 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -72.84 -31.02 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -76.18 -5.67 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.1 mp -92.73 17.26 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 14.39 77.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -107.49 -177.26 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -134.93 74.53 63.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.05 55.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.744 2.296 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 p -110.38 166.77 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.09 -26.91 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.1 59.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.96 -47.77 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.1 -61.73 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -52.18 -41.21 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -57.26 -62.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.36 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.9 mm -51.02 -59.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.31 -23.32 47.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -84.25 -24.82 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 m -117.8 25.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -137.34 104.53 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.69 -15.34 30.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -40.74 16.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.05 43.28 4.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.63 4.0 23.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.91 30.25 69.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.413 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.3 p -137.58 160.14 39.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 111.148 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mt -111.67 139.55 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -95.67 -178.84 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 1.8 t80 -66.99 -56.82 12.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.7 Cg_endo -69.8 -35.69 12.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.661 2.241 . . . . 0.0 112.245 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -49.3 -66.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -50.9 -41.68 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -45.65 79.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 p -65.81 -46.9 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -52.9 -50.3 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -51.97 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.85 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -55.56 -25.73 39.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -65.41 -18.34 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.5 ttp -51.39 -30.49 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -51.7 -30.18 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -114.12 132.95 55.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 p -89.68 10.27 23.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.22 98.62 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 p -90.82 -22.76 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -58.54 -33.77 70.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.04 -61.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.74 -47.59 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mm -53.19 -71.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -47.42 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -53.69 -38.93 64.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.25 -60.72 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.22 -19.9 49.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -81.7 -41.78 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.6 m -75.35 -25.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -69.76 -43.85 71.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -84.02 90.88 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -50.03 -46.97 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.38 -20.06 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.17 35.48 60.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -70.39 -11.21 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.6 7.38 25.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -153.39 141.75 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 97.5 mt -96.62 129.87 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -100.15 165.69 11.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.97 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.91 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -58.06 -46.11 85.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -65.46 -61.98 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -50.41 -31.75 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.31 -44.87 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.2 -29.06 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.0 tpp -86.95 -42.69 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.9 m -67.71 -45.96 73.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -59.44 -35.89 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -24.38 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.1 -17.29 32.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.9 107.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -63.01 140.39 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -156.25 158.06 36.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -50.57 -39.8 50.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.0 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.1 t -54.81 -47.96 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -51.05 -46.78 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.49 -37.07 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.3 mtp -60.38 -41.78 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.15 -44.48 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -62.0 -27.35 68.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -90.33 -40.83 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.66 63.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -104.53 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -13.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.18 -21.01 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.0 45.28 96.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.71 -16.89 23.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.56 6.33 35.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -140.32 132.09 27.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.1 t -88.15 130.12 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -109.86 164.82 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -65.61 -42.94 91.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -49.49 -49.28 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.82 -31.09 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -52.34 -48.09 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.69 -26.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -84.94 -20.3 30.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.9 tmm? -63.69 -20.86 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.62 9.56 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.9 p -104.48 46.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 50.54 0.24 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -106.95 22.86 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 t -43.61 -39.24 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -97.37 -25.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.89 -176.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.71 33.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.96 -25.4 5.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.71 -57.39 12.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -52.55 -34.98 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -66.18 -48.89 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.72 -55.48 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 6.0 tt -56.54 -45.29 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.2 mt -65.48 -36.16 83.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.33 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.96 -36.11 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -55.73 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -62.55 -44.83 97.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -96.37 116.65 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.74 78.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 14.5 tptm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.15 -22.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -43.33 63.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.08 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -52.12 -47.39 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -49.39 -55.31 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.01 -39.74 86.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.59 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.81 -58.23 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -63.2 -22.4 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -81.17 -16.11 53.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.29 96.69 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -90.28 -31.04 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.14 -22.85 62.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 50.97 13.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.45 -16.48 56.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 13.96 25.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -167.63 173.13 8.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.428 ' HB ' HG23 ' A' ' 63' ' ' ILE . 3.5 mp -138.4 133.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.4 t -100.41 174.8 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.0 p -57.44 -27.81 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.225 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -63.2 -52.8 60.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.47 -67.16 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.96 -52.49 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.87 -55.37 9.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.454 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.7 m -63.91 -28.27 69.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.07 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.2 t -70.28 -45.64 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 ptp -73.1 -31.2 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.35 -29.62 42.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 p -71.1 -8.73 55.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.38 10.14 18.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 10.71 57.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -106.95 156.41 18.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -118.62 66.92 7.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 157.85 58.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -111.81 178.42 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.48 -42.1 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.43 -46.18 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -58.61 -46.69 86.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.58 -60.77 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -53.06 -37.35 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.06 -60.19 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.8 mmm -52.15 -55.09 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.7 mm -51.68 -53.78 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.19 -26.87 66.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 -25.88 37.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 m -111.38 22.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.58 96.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -17.07 64.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -37.43 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 50.97 2.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -95.92 -20.86 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.22 19.32 9.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.7 p -150.88 168.64 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.84 133.18 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -95.95 175.85 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 11.2 t80 -64.96 -53.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.99 -51.71 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -55.5 -52.6 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.29 -36.49 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 tmm? -55.6 -51.92 65.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -53.23 52.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 -29.89 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.8 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -85.0 -10.53 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.9 tpt -60.74 -19.23 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -51.81 -29.9 21.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.71 109.82 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -66.25 -24.82 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.53 103.74 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -92.76 10.22 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -50.95 -46.07 60.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.29 -59.12 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -56.04 -47.07 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 83.5 mt -51.22 -71.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -48.56 -39.87 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -57.29 -39.94 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -59.52 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -59.37 -22.04 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -79.7 -43.44 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.8 m -73.85 -24.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -73.61 -38.86 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.56 84.22 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -59.81 -31.35 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -20.15 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.67 61.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.74 -20.4 63.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.45 9.95 30.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -152.1 135.87 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.4 mt -93.12 134.05 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -110.25 168.96 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.25 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.61 -71.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -57.04 -41.52 78.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.32 -59.01 5.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 -54.26 -43.21 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.12 -31.04 72.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.2 t -70.99 -45.22 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.72 -19.84 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.6 m -86.29 -49.01 8.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -52.23 -34.65 46.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.63 -30.19 59.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.82 20.55 7.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -88.96 96.35 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.88 138.17 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 pp -146.8 162.3 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 t -109.98 167.44 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -51.92 -40.3 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.66 -38.9 92.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.99 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.0 t -57.08 -42.0 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -62.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.33 -34.18 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ttt -53.9 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.93 -39.05 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.77 -29.36 68.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -90.3 -44.17 9.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.72 -12.79 61.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -110.67 109.38 19.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pt -72.6 -31.12 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -20.14 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.67 38.54 77.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.14 13.27 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.97 13.77 72.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -131.88 129.91 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.34 110.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.75 162.86 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.3 -45.79 82.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.56 -49.4 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.14 -31.02 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.85 -46.38 67.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.3 m -71.06 -29.2 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.5 -21.78 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.8 tmm? -62.39 -22.36 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ptm -101.49 -3.9 27.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 43.0 p -91.96 51.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.94 51.04 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -102.9 22.02 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -46.59 -35.11 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.2 p -104.75 -29.0 10.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -59.85 -177.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.56 33.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.99 -24.7 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 p -49.39 -67.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -55.39 15.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -53.22 -34.8 58.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -66.48 -51.34 57.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -56.14 -54.21 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.83 -44.75 94.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.08 -39.87 91.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.81 -46.87 80.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.02 92.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 25.4 m -74.21 -25.11 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.27 -40.81 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -86.12 -28.03 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -51.26 -30.72 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -130.15 99.65 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.36 127.86 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 25.4 tptp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -85.03 -21.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -45.99 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.98 -48.25 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.94 -44.7 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -51.13 -49.75 60.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -43.6 74.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.3 61.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.9 -41.93 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 t -52.14 -49.98 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -70.58 -24.97 62.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.79 127.67 33.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.99 -22.04 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -20.21 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 50.3 69.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.15 -17.6 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 29.85 3.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -163.21 161.53 24.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mm -120.46 107.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -84.1 159.66 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -36.61 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -53.8 -55.47 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.32 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -46.59 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.92 -64.19 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.509 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.4 m -54.52 -32.31 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.37 -55.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.13 -36.98 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -82.66 0.42 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 20.47 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.85 18.54 80.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.48 HE22 ' NE2' ' A' ' 167' ' ' GLN . 11.3 tt0 -110.14 162.29 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -113.48 74.75 2.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.694 0.759 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.52 17.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -109.01 172.0 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.15 -41.29 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.69 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.22 -50.19 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.9 -57.17 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -52.78 -48.09 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.64 -61.0 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -48.32 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.02 -47.24 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -62.32 -24.68 67.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.08 -23.01 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.6 m -114.51 23.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -149.43 100.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.62 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -36.77 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.24 42.78 11.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.563 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -91.42 -21.19 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 9.64 48.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.86 145.25 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.1 mt -85.2 136.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -80.34 -169.79 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -71.53 -60.87 2.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 54.2 Cg_endo -69.61 -30.7 22.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -48.94 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -45.94 -43.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.808 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.1 -49.8 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.7 p -60.44 -46.36 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -53.64 -55.72 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -64.04 -50.13 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -22.34 44.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -56.65 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.62 ' HZ1' ' N ' ' A' ' 169' ' ' LYS . 19.5 mttt -74.03 -17.42 60.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.2 ttp -57.02 -24.83 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.58 -31.04 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.43 100.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -51.93 -39.65 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.5 109.11 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -93.17 10.91 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.04 -41.77 94.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -55.43 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.82 -48.4 81.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.2 mt -52.51 -69.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -47.04 -51.23 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -36.33 53.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.6 -60.4 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -20.03 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -81.8 -39.2 24.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.3 m -79.03 -24.16 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -71.21 -33.08 69.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.66 90.48 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -23.31 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -23.14 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.94 51.03 25.91 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -90.53 -11.86 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.99 0.8 30.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -147.64 167.5 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.5 mt -115.71 123.13 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -95.74 159.5 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.56 -29.64 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.81 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -59.33 -42.91 92.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.73 -63.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.79 -34.0 18.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -76.07 -36.62 58.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 t -64.18 -39.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtm -82.48 -38.58 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -67.15 -44.37 79.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -56.87 -31.14 64.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -16.34 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.98 -5.27 30.55 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.09 101.06 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -66.08 121.27 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.54 160.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.3 t -110.13 163.76 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.51 -31.91 25.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.55 -43.77 96.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -65.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.7 -47.98 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.68 -33.33 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -68.97 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.0 ptm -51.05 -42.08 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.2 mm -68.04 -40.53 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -63.77 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.3 -37.37 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -11.13 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -119.4 104.95 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.31 -43.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -20.38 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.11 36.41 92.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.42 10.88 20.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 13.94 76.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -133.46 130.01 38.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -93.08 114.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -90.05 164.74 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -68.86 -46.02 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -48.82 -44.72 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -85.16 -33.18 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -51.61 -46.4 63.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.08 -29.36 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.51 -28.33 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -65.44 -24.38 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.9 tpt -96.78 4.79 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.8 p -107.68 50.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.56 51.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -96.7 21.83 8.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.7 t -46.38 -47.8 18.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.4 p -95.84 -27.95 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.11 33.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.3 -24.83 5.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 m -49.2 -69.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -49.02 -56.17 10.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -52.8 -34.88 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -51.72 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 4.1 tt -55.58 -43.82 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.1 mt -71.36 -35.24 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.1 -42.01 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.55 -34.07 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -83.59 -30.41 27.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -81.77 -50.4 4.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -56.66 -32.33 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.48 ' NE2' HE22 ' A' ' 41' ' ' GLN . 9.6 tp-100 -109.11 110.17 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.86 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.62 ' N ' ' HZ1' ' A' ' 75' ' ' LYS . 14.9 tppt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.22 -23.3 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.14 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -51.89 -52.68 48.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.19 -44.39 95.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -50.73 -50.79 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.56 -51.09 60.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.64 -33.6 15.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -90.93 -26.06 19.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 t -63.78 -50.46 68.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.41 138.97 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -83.95 -55.49 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -94.15 -21.06 19.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.74 49.63 67.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -79.4 -4.53 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.0 17.33 9.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.51 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -170.23 165.06 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.5 mt -131.63 127.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -90.03 161.96 15.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.8 p -48.32 -34.84 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.2 -58.14 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -51.31 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.56 -51.35 60.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.27 -55.29 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -65.82 -34.38 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.06 -49.21 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -69.32 -47.82 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.8 -23.54 67.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -19.05 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.57 19.94 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -7.04 82.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.33 155.43 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -119.65 67.59 10.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.09 24.79 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -109.94 -179.3 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.38 -44.51 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.01 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.12 -59.19 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.8 -54.66 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.95 -38.48 62.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.25 -58.99 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.52 -59.03 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 mm -50.5 -60.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -57.32 -22.0 39.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -84.63 -25.3 28.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 m -119.68 25.96 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -134.88 105.18 6.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.79 -14.67 31.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -40.79 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 42.81 4.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.35 6.38 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.96 31.08 71.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -143.22 162.5 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.4 mt -102.56 133.13 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.2 -172.2 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.461 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -71.16 -60.57 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.72 -29.93 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -51.57 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -48.92 -57.16 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.19 -43.5 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.8 m -59.14 -47.6 84.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -58.96 -48.0 83.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.3 mtm -61.15 -59.44 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.24 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -56.83 -23.86 46.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -69.48 -11.26 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -27.27 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.13 -30.65 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -77.14 150.06 35.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.86 -45.85 3.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -64.19 132.6 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -99.91 -22.25 15.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.45 -38.76 45.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -56.49 -57.94 10.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.35 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.0 mm -49.5 -70.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -45.58 -46.07 14.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -53.17 -41.84 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.41 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.39 -21.52 36.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -78.87 -44.54 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 32.0 m -74.04 -23.7 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -74.2 -38.89 63.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.58 90.76 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.94 -48.34 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -20.74 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.81 34.67 90.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -69.95 -19.94 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.96 16.17 11.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -154.51 133.18 12.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.3 mt -97.57 115.68 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -93.65 164.07 13.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.99 -30.21 33.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.81 -56.97 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -58.31 -42.14 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.11 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -29.75 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.3 -43.6 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.0 t -61.44 -42.09 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtm -75.22 -46.61 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 m -62.11 -29.07 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -20.48 56.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.39 -16.65 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -57.47 109.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 112.68 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mp -112.34 155.21 24.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.7 p -107.18 161.51 14.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -51.5 -36.38 44.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.18 -45.83 91.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -52.75 -68.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.55 -38.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.47 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -56.03 -35.49 66.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.3 mmm -53.52 -58.82 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.3 mm -67.12 -32.88 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -64.5 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -86.72 -41.88 13.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.96 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -97.2 98.97 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -13.47 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.92 -20.63 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.82 48.53 75.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -100.19 -7.9 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.02 8.57 61.56 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.75 132.71 29.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -90.22 132.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.48 166.51 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.77 -43.8 92.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.02 -53.52 19.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.16 -30.13 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -52.76 -48.74 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.2 m -65.8 -25.41 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.91 -22.08 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -64.36 -14.47 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.5 ttp -110.38 10.89 23.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.3 p -120.38 47.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.66 51.12 1.44 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -95.42 21.15 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.7 p -49.24 -49.97 40.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.9 p -82.93 -14.22 54.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.63 -177.37 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.75 33.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.91 -24.4 6.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.9 m -52.43 -67.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -51.58 -43.8 53.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -64.25 -29.96 71.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -71.74 -52.47 17.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.19 -48.54 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 5.3 tt -63.11 -43.94 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -66.23 -38.75 88.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.6 -43.07 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.15 -53.53 36.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.62 -34.39 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -77.09 -38.3 52.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.52 97.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.436 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -53.36 -27.55 24.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.735 0.302 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -90.22 72.28 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 175.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.47 -21.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.15 52.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -53.42 -47.88 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.0 -45.36 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -51.22 -51.21 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.6 tp10 -72.5 -39.24 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.48 -38.35 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -85.99 -42.99 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 p -51.24 -45.76 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.2 pp -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -70.02 -69.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -78.72 114.91 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -89.73 -24.24 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -20.05 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 48.49 65.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -98.04 -20.5 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 27.6 5.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -170.18 165.04 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.487 HG22 HD23 ' A' ' 32' ' ' LEU . 3.5 mp -132.34 127.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -98.35 168.0 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.404 ' HA ' HD21 ' A' ' 32' ' ' LEU . 7.0 p -51.14 -32.16 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -54.95 40.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -54.53 -68.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -49.4 -39.76 33.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.46 -56.16 24.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 -31.68 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.3 t -63.75 -41.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.618 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 73.9 mtm -79.77 -36.56 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -27.51 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -78.52 -3.26 42.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.782 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -97.8 20.0 12.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 18.24 75.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -110.51 165.0 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -119.07 71.53 11.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.708 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.11 41.66 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.753 2.302 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -110.09 170.11 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.19 -36.93 53.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -56.78 -46.76 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 32' ' ' LEU . 13.8 mt -62.59 -60.47 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -51.76 -40.23 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -60.91 -58.35 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtt -51.21 -55.63 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.808 HD11 HD21 ' A' ' 32' ' ' LEU . 47.9 mm -50.56 -58.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.27 -21.75 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -83.52 -25.35 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.574 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -112.31 24.79 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.51 117.82 32.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.63 -16.88 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -40.03 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.73 50.33 2.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.36 -20.19 13.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 30.16 9.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 p -141.74 154.67 45.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.151 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 55' ' ' VAL . 4.4 mt -98.58 122.45 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -173.04 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.99 -59.78 4.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.81 -31.58 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -51.2 -64.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -51.3 -49.82 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -47.66 50.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.6 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttp -57.57 -57.75 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.85 -29.43 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.12 -26.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -55.0 -26.09 34.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -36.67 49.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.3 tpp -52.5 -29.58 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -37.49 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -64.0 147.39 52.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -54.49 -34.31 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -153.26 173.73 15.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -92.17 6.21 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.68 -46.43 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -49.92 -56.41 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.33 -48.26 79.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.427 HD11 ' CE ' ' A' ' 145' ' ' MET . 91.6 mt -51.35 -70.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -48.64 -40.16 26.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.647 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 mm-40 -57.65 -39.5 77.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.92 -60.55 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.27 -22.54 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -78.96 -41.88 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 87' ' ' GLU . 30.1 m -76.09 -23.47 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-30 -72.4 -47.79 46.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.82 90.23 2.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -55.99 -34.04 65.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.73 -20.42 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.78 28.08 67.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -69.91 -15.99 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.2 6.98 27.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -148.65 149.63 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 105' ' ' LEU . 86.3 mt -105.73 123.98 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -94.7 161.96 13.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.07 -37.83 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.6 -59.57 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -51.97 -60.35 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 4.6 tp -50.64 -51.95 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.687 ' O ' HG23 ' A' ' 110' ' ' THR . 15.4 mtm180 -51.17 -55.72 16.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -53.93 -39.29 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.8 t -62.71 -42.85 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -71.28 -48.83 48.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.1 p -61.67 -46.86 87.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -50.29 -55.99 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -59.7 -21.07 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.55 27.46 10.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 99.75 12.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -51.89 117.14 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 145.67 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.4 p -104.15 166.15 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -51.78 -42.94 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.06 -44.49 96.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -51.8 -70.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.653 HG21 ' HG2' ' A' ' 106' ' ' ARG . 85.8 t -53.45 -45.25 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.91 -54.78 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.27 -42.89 96.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.569 ' CE ' HD21 ' A' ' 105' ' ' LEU . 2.9 ttt -51.76 -56.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.6 mm -65.36 -34.39 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -29.28 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -89.66 -39.3 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.95 -18.52 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -111.94 102.52 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.71 -43.61 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -20.45 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.75 93.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.92 9.07 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.93 79.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.44 133.29 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.12 118.07 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -91.67 162.89 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.622 ' O ' HG13 ' A' ' 142' ' ' VAL . 79.4 t80 -65.63 -46.0 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.496 ' O ' HG22 ' A' ' 142' ' ' VAL . 24.4 tt0 -48.96 -48.46 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.09 -27.75 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 43.6 t80 -58.33 -38.86 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.0 m -72.58 -24.95 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.68 -19.85 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.72 -17.59 49.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.427 ' CE ' HD11 ' A' ' 85' ' ' ILE . 1.5 ptm -110.36 11.12 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.2 p -109.74 28.82 8.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.51 51.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.13 21.61 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 m -48.48 -50.19 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -15.72 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.609 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -83.51 -177.05 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.3 33.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.58 -26.08 5.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.8 m -49.45 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.541 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.64 -54.42 21.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.2 m95 -53.62 -33.84 56.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -54.15 21.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.559 ' HG2' HD22 ' A' ' 18' ' ' LEU . 18.1 tttt -54.36 -54.71 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.1 tt -59.04 -43.89 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.8 ttmt -61.71 -41.01 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.719 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.8 mt -64.52 -44.09 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.68 -46.12 91.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.782 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.7 m -73.98 -23.91 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -78.21 -40.66 36.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -83.76 -30.46 29.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.94 -30.16 23.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.713 0.292 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -95.42 176.72 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.5 -21.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.46 -47.88 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' ' 161' ' ' LEU . 2.4 tt0 -51.53 -53.89 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.32 -51.45 68.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -50.36 -44.12 54.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.36 -45.73 82.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.059 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -59.24 -32.46 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -75.47 -61.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.67 -18.05 57.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.56 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.8 t80 -87.62 -40.52 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.95 93.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -90.43 -19.32 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -20.49 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.75 50.36 54.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.2 -20.53 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.48 21.07 25.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -149.74 164.55 34.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 32' ' ' LEU . 11.0 mt -131.49 136.15 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -100.13 165.76 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.498 HG23 HG13 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -53.3 -41.08 65.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.1 mt-10 -55.21 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -50.16 -45.3 53.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -64.55 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -55.14 -38.84 68.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.143 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.8 t -55.98 -45.59 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 19.0 mtt -68.93 -44.59 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -64.53 -24.03 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.69 ' HB3' HD12 ' A' ' 112' ' ' LEU . 68.3 m -60.22 -20.05 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -95.87 20.04 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 -4.31 79.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.523 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 159.1 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.731 0.301 . . . . 0.0 110.937 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.0 72.16 5.91 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 129.51 17.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -110.54 -179.75 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.65 -32.92 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -45.12 77.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.06 -54.71 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 32' ' ' LEU . 12.8 mt -60.02 -56.13 25.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.54 -40.29 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.14 -59.57 5.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 0.4 OUTLIER -51.44 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 32' ' ' LEU . 48.0 mm -51.09 -58.48 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.59 -22.24 43.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -86.08 -24.74 26.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 63' ' ' ILE . 6.0 m -118.97 27.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -139.5 104.9 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.83 -14.89 30.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.91 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.77 44.69 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -109.76 6.01 23.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.528 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.82 30.44 69.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.0 p -139.57 156.04 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 HG21 ' A' ' 55' ' ' VAL . 2.6 mt -102.62 117.36 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.91 179.16 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.634 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.9 t80 -66.88 -56.64 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -32.04 19.26 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.8 -65.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.29 -50.14 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -50.6 -41.17 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.3 m -68.47 -44.3 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -55.9 -44.49 78.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 mtp -76.92 -52.5 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.67 -28.22 8.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -54.08 -26.18 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -18.33 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.9 ttp -50.53 -30.96 14.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -52.34 -29.39 23.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.23 117.98 22.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -74.06 -9.81 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.81 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 p -99.34 -21.32 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.06 -40.04 57.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.47 -60.16 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -55.65 -55.09 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 141' ' ' PHE . 80.3 mt -49.89 -70.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -46.38 21.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.7 mm-40 -53.31 -39.15 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.17 -61.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.18 -20.03 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -81.48 -40.5 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.7 m -77.97 -23.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.7 m-85 -76.06 -26.77 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.45 90.67 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.26 -20.36 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.24 35.43 90.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -69.8 -20.2 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.31 15.69 16.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.424 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -154.09 129.82 10.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.766 HG21 HD13 ' A' ' 105' ' ' LEU . 77.1 mt -90.24 116.91 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -95.3 170.17 9.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.57 -33.31 71.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.63 -63.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.1 mt-10 -51.08 -58.1 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 100' ' ' ILE . 3.9 tp -52.03 -47.76 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -52.1 -51.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.65 -34.9 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 159' ' ' ILE . 91.4 t -62.15 -46.49 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.6 mmt -79.45 -23.98 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -76.01 -43.91 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -43.63 63.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 38' ' ' SER . 0.4 OUTLIER -64.1 -28.6 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.89 -19.59 27.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -54.92 112.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -68.37 115.8 8.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -118.49 150.3 39.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.59 164.08 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.64 -37.67 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.88 -40.54 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.82 -69.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.51 -46.22 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.23 -31.11 69.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 41.4 tt0 -73.86 -62.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.489 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.3 ptm -51.05 -38.18 49.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.451 HD11 HD22 ' A' ' 105' ' ' LEU . 28.1 mm -72.13 -50.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -56.95 -28.7 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -90.24 -33.49 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.74 -1.6 51.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -119.66 106.74 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 140' ' ' GLU . 28.7 mt -64.03 -45.45 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -20.51 58.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.39 37.92 86.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.29 12.19 21.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.77 11.83 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.74 129.65 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.44 134.3 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -110.28 -179.33 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.26 -58.03 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -50.64 -32.6 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 130' ' ' ILE . 18.7 mt-10 -85.52 -30.57 23.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.593 ' HE1' HG23 ' A' ' 85' ' ' ILE . 49.9 t80 -64.34 -42.81 96.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.71 -26.03 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.9 -19.99 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -62.43 -16.67 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.7 ttm -110.8 10.88 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 p -113.38 50.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.77 51.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.18 21.2 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 11.0 p -49.19 -50.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.2 p -94.17 21.04 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -109.62 -177.63 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.67 32.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.73 -25.11 6.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -66.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.795 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.17 -52.52 31.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.416 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.0 m95 -55.55 -34.74 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -49.69 63.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -55.45 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 108' ' ' VAL . 5.3 tt -57.99 -43.75 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 159' ' ' ILE . 22.8 ttmt -64.58 -36.52 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.059 HD22 ' HB2' ' A' ' 15' ' ' ALA . 2.7 mt -66.26 -43.99 84.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.88 -49.93 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.661 HG12 ' CD1' ' A' ' 39' ' ' LEU . 21.8 m -64.97 -32.56 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -71.94 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -61.41 -29.66 72.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.07 -37.69 47.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -75.85 138.8 41.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.563 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.8 mt -78.57 -21.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -42.37 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -52.03 -56.03 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CG ' HD11 ' A' ' 69' ' ' LEU . 26.9 m-85 -60.51 -42.66 96.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -51.38 -53.76 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.03 -45.9 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.065 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -54.39 -37.64 65.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -74.78 -46.18 38.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -52.96 -49.94 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 15' ' ' ALA . 2.7 pp -68.87 -13.33 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -87.14 120.15 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.93 -21.23 22.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.7 -20.39 22.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.07 46.79 76.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.82 -20.01 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.35 23.74 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -168.89 163.78 11.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.604 HG23 ' CB ' ' A' ' 31' ' ' GLU . 4.7 mt -132.32 131.5 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 30' ' ' LYS . 15.3 t -97.11 167.92 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.438 ' HA ' HD21 ' A' ' 32' ' ' LEU . 8.0 p -50.43 -32.03 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' H ' HG23 ' A' ' 28' ' ' THR . 56.3 tttt -60.73 -58.07 10.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' CB ' HG23 ' A' ' 27' ' ' ILE . 3.2 mt-10 -53.48 -67.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -50.33 -36.33 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.33 -65.34 3.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.452 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 t -60.05 -41.01 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 112' ' ' LEU . 75.8 t -58.2 -46.72 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.4 ttp -68.1 -36.25 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.42 -23.21 60.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.0 m -60.95 -17.81 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HG ' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -93.37 20.23 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.25 82.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -92.51 154.51 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.74 73.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.91 18.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 p -111.08 179.37 4.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -52.21 -35.94 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.72 74.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.87 -57.62 11.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 21.6 mt -57.25 -50.16 73.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.33 -46.22 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.3 -60.18 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.42 -60.3 2.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 32' ' ' LEU . 39.2 mm -51.91 -55.49 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.89 -25.25 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -89.59 -20.27 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.598 HG21 HD12 ' A' ' 63' ' ' ILE . 15.4 m -118.79 30.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -144.17 106.31 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.28 29.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -40.81 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.15 47.27 3.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.18 11.99 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 60.52 30.66 72.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -150.73 163.46 38.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 55' ' ' VAL . 13.5 tt -116.7 143.01 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -91.32 -176.1 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.82 -58.52 5.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.734 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.6 Cg_endo -69.77 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HA ' HD11 ' A' ' 63' ' ' ILE . 4.7 t80 -62.75 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.93 -27.05 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -78.69 -49.75 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.402 ' CB ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.59 -19.89 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 ttp -88.98 -56.62 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.6 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -54.38 -28.86 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.54 -24.6 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -25.94 40.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -52.05 -30.06 23.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.88 141.13 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -100.42 9.99 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -108.83 112.51 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.4 m -97.85 -19.21 18.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -54.73 -34.56 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -57.89 -62.0 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.71 -46.47 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' HE1' ' A' ' 141' ' ' PHE . 28.4 mm -52.41 -71.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -48.89 -45.23 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.65 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.4 mm-40 -54.66 -36.71 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.17 -60.79 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -20.68 58.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -80.79 -41.21 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.6 m -76.37 -25.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.5 m-85 -73.82 -32.85 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -87.93 90.47 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.12 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.12 -20.55 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.9 36.02 90.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -69.88 -20.12 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.04 13.66 20.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -153.67 129.6 10.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.733 HG21 HD13 ' A' ' 105' ' ' LEU . 98.0 mt -89.97 123.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 t -101.05 172.86 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -28.13 68.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -57.57 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 108' ' ' VAL . 37.0 mt-10 -58.47 -44.58 89.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 100' ' ' ILE . 2.6 tp -64.13 -63.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.73 -31.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -73.85 -39.47 63.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.0 t -65.36 -41.33 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -48.96 27.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.6 m -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -55.94 -34.24 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.577 HD11 HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -62.99 -21.4 66.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.2 -18.35 28.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.44 135.56 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -92.67 128.4 38.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.6 OUTLIER -114.61 164.81 13.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -110.03 162.15 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -51.9 -37.65 53.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -62.13 -37.68 86.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.04 -69.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.15 -46.31 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.14 -33.83 72.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.53 -62.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 11.5 ptm -51.58 -37.12 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 105' ' ' LEU . 21.8 mm -71.99 -42.9 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -63.34 -30.6 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.42 -30.59 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.92 -5.63 59.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -120.13 107.26 12.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.7 mt -62.74 -46.56 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -20.5 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.57 90.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.5 11.04 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.07 86.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -127.33 129.79 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.77 132.19 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -110.44 -177.3 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.22 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -50.78 -31.47 17.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 130' ' ' ILE . 17.9 mt-10 -87.5 -31.62 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 85' ' ' ILE . 43.2 t80 -62.73 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 m -67.11 -25.37 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.65 -20.89 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -61.03 -17.74 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.7 ttp -108.76 10.48 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.4 p -111.79 49.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.45 50.9 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.86 21.31 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.2 t -49.53 -49.75 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.7 p -85.16 -11.28 55.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -77.88 -177.72 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -89.46 33.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.16 -26.15 4.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.434 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 m -49.97 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.682 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.77 -51.43 39.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.47 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 90.2 m95 -57.6 -29.84 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -48.44 55.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.6 tt -64.58 -43.95 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 159' ' ' ILE . 31.2 ttpt -61.86 -38.39 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.065 HD23 ' HB2' ' A' ' 15' ' ' ALA . 1.1 mp -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' HG ' ' A' ' 39' ' ' LEU . 18.7 m -74.4 -30.64 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -74.51 -42.05 59.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.86 -32.59 36.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -50.71 -39.61 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -105.84 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.786 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.59 -23.2 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -45.39 62.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.99 -68.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.31 -42.52 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -51.49 -46.67 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CD ' HD23 ' A' ' 18' ' ' LEU . 2.8 tm-20 -71.91 -38.92 69.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.058 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -56.1 -40.09 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.67 -43.53 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 t -51.11 -47.58 61.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -70.09 -38.52 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -110.24 95.04 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -73.35 -25.15 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.91 -20.15 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.73 50.0 55.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.92 -20.25 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 29.67 6.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -169.44 162.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 32' ' ' LEU . 6.9 mt -130.66 122.27 52.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -96.39 168.95 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.499 HG23 HG13 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -54.25 -38.31 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -58.6 -46.12 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 tt0 -58.63 -68.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -51.46 -43.3 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.05 -57.2 15.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 m -63.18 -31.49 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.9 t -60.66 -53.89 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.576 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 21.2 ptp -72.84 -29.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.36 -29.35 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -81.83 0.31 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.682 ' CD2' HG12 ' A' ' 163' ' ' VAL . 1.3 mp -94.17 17.49 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.08 17.21 79.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.54 170.7 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -116.55 77.24 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 140.07 42.04 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.745 2.296 . . . . 0.0 112.384 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -110.37 174.05 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.65 -39.62 92.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.61 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.8 -50.5 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.562 HD22 HD12 ' A' ' 32' ' ' LEU . 13.1 mt -61.75 -58.22 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.22 -39.38 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -61.66 -58.87 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.487 ' CE ' ' HB2' ' A' ' 168' ' ' ALA . 3.2 tpt -50.99 -54.78 21.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 32' ' ' LEU . 39.0 mm -51.31 -58.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.76 -20.69 61.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.41 -23.71 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.3 22.71 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -135.22 100.76 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -18.31 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.74 16.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.54 47.52 21.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -92.92 -20.89 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.94 11.63 36.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.16 150.83 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' HD13 ' A' ' 52' ' ' ILE . 2.0 mt -93.36 135.13 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.79 179.07 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.62 -56.82 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.3 Cg_endo -69.82 -30.78 21.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.43 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -50.61 -50.78 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -41.04 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -66.11 -47.59 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.69 -50.82 67.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttp -68.08 -50.47 54.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.53 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -53.15 -28.54 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -58.07 -27.56 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.55 -31.06 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -32.36 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.39 132.64 40.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 m -88.01 -39.74 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -58.06 109.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -97.0 7.36 46.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.5 -40.89 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -59.89 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -53.48 56.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.72 -70.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.25 -43.69 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.1 tm-20 -55.07 -40.2 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -64.3 -60.88 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -59.64 -20.89 59.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -80.38 -40.15 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.1 m -78.02 -23.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.2 m-85 -79.18 -21.15 46.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.98 91.24 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -48.7 -63.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.36 -20.33 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.03 36.4 92.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.99 -17.35 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.15 12.93 16.61 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -153.34 130.72 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 105' ' ' LEU . 96.1 mt -89.61 122.56 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -94.92 164.36 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.64 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.4 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.4 mt-10 -54.11 -62.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.677 HD13 HG21 ' A' ' 100' ' ' ILE . 4.4 tp -51.97 -39.71 59.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.714 ' CD ' HG21 ' A' ' 121' ' ' VAL . 5.3 mmm180 -56.4 -56.12 25.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -65.73 -25.42 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.9 t -66.73 -47.54 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mtt -86.29 -19.6 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.3 m -81.87 -46.38 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.072 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -56.21 -32.65 64.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -21.19 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 -18.2 28.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.01 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -62.35 113.12 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -121.0 158.51 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.19 164.54 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -51.36 -32.84 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.12 -40.06 95.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.61 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.714 HG21 ' CD ' ' A' ' 106' ' ' ARG . 98.7 t -53.0 -47.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.16 -33.84 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.54 -62.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.493 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 8.7 ptm -52.41 -42.15 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.14 -35.73 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -68.01 -33.08 73.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -87.28 -30.42 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.19 -25.31 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.87 99.55 10.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.0 mt -65.64 -37.02 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -20.79 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.76 40.54 85.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.3 10.92 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.89 77.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.52 134.1 33.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.9 t -92.79 135.79 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -110.12 164.11 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.1 t80 -65.21 -47.06 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 142' ' ' VAL . 45.1 mm-40 -48.32 -51.83 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.15 -30.52 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.2 -48.36 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.2 m -66.8 -22.49 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -62.91 -20.17 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -61.23 -17.45 53.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.8 mtm -109.89 11.06 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.2 p -111.08 32.42 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 109.41 51.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.98 21.04 7.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.6 t -48.76 -50.37 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.8 t -82.55 -15.54 51.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.44 -176.73 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.11 33.44 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.17 -26.11 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 22.8 t -49.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.505 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.22 -55.05 17.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -53.53 -33.12 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ARG . . . . . 0.439 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -68.1 -53.41 25.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.677 ' HG3' HD22 ' A' ' 18' ' ' LEU . 19.8 ttpt -55.12 -54.03 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.57 HD11 HG11 ' A' ' 108' ' ' VAL . 4.8 tt -59.56 -44.19 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 159' ' ' ILE . 27.1 tptp -61.12 -42.78 99.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.058 HD23 ' HB2' ' A' ' 15' ' ' ALA . 6.5 mp -63.86 -41.86 97.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.8 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.682 HG12 ' CD2' ' A' ' 39' ' ' LEU . 20.2 m -74.67 -23.81 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -82.32 -26.39 33.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -90.29 -41.17 5.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.54 -39.46 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.74 151.96 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.487 ' HB2' ' CE ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.34 -24.38 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.22 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -51.51 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.18 -42.13 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -51.32 -51.47 54.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.9 tm-20 -72.8 -33.97 66.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.04 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.99 -40.9 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.662 ' CD1' HD11 ' A' ' 27' ' ' ILE . 5.5 t80 -85.61 -42.81 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -50.73 -47.43 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pp -67.14 -28.94 68.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -60.14 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.08 111.42 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -69.52 -25.85 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.14 -20.5 11.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 50.26 61.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -81.26 -6.61 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.88 17.37 9.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -170.23 163.43 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.078 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 16' ' ' PHE . 9.1 mt -125.37 124.19 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -93.74 167.78 11.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' HD21 ' A' ' 32' ' ' LEU . 12.5 p -53.26 -31.8 45.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -59.32 -54.93 41.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -55.18 -68.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -50.15 -36.09 28.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.4 -62.91 5.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -63.63 -37.88 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.8 t -63.24 -37.38 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.676 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.5 ttp -73.22 -46.46 50.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -19.9 62.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.499 ' CB ' HD12 ' A' ' 112' ' ' LEU . 3.6 m -57.58 -22.29 44.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.694 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -94.51 20.49 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.59 18.16 62.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -91.85 162.95 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.65 67.44 49.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.39 21.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -110.74 179.74 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -51.77 -41.72 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.57 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.45 -59.52 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.636 HD22 HD12 ' A' ' 32' ' ' LEU . 23.2 mt -54.72 -54.46 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -55.19 -42.61 73.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.32 -59.96 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mtt -51.82 -57.7 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.753 HD11 HD21 ' A' ' 32' ' ' LEU . 47.0 mm -50.85 -59.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -57.49 -23.56 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -84.38 -23.84 29.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 63' ' ' ILE . 6.1 m -116.69 25.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.93 103.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.47 -20.67 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -110.41 -40.21 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.65 50.61 2.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -103.01 -20.13 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.48 9.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 p -142.86 178.87 7.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 55' ' ' VAL . 4.0 mt -116.41 134.31 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -91.71 -175.51 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -68.28 -59.72 5.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.74 -32.0 19.5 Favored 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.747 2.298 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -51.07 -66.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.49 -49.7 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -39.51 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.7 m -69.51 -46.6 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -54.62 -44.45 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 ttp -75.86 -49.85 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.29 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -55.37 -30.5 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -24.67 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -28.43 26.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -51.84 -30.17 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -58.57 -178.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -97.5 -69.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -102.98 159.6 15.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -99.21 10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.77 -42.07 45.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.19 -56.66 14.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -58.19 -52.92 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 mm -49.36 -71.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -47.63 -45.77 28.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 mt-10 -53.11 -38.66 62.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.48 -61.27 2.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -59.96 -19.91 54.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -81.79 -38.32 25.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 87' ' ' GLU . 29.1 m -80.49 -23.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -72.38 -46.24 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.31 90.59 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -50.06 -57.29 7.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -20.43 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.09 34.18 88.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.77 -19.53 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.26 15.85 11.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -154.59 129.88 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 105' ' ' LEU . 76.9 mt -92.24 120.04 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -95.18 -179.89 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -71.84 -30.0 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.55 -58.88 5.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.5 mt-10 -58.87 -41.13 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 100' ' ' ILE . 10.9 tp -65.74 -63.18 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -51.6 -31.86 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -75.34 -37.91 60.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 104' ' ' GLU . 20.7 t -65.44 -42.14 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.0 mtm -76.74 -43.86 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 m -65.01 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.72 -34.45 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.534 HD11 HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.63 -13.45 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.01 -14.28 31.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.42 157.74 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -116.78 156.61 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -159.08 158.14 32.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -111.23 170.26 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 117' ' ' THR . 83.7 m-20 -51.99 -38.15 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.27 -39.54 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -58.31 -70.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.61 HG11 ' HB1' ' A' ' 102' ' ' ALA . 15.5 t -51.41 -47.69 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.7 -63.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.621 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 13.6 ptm -50.72 -40.22 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -68.02 -47.53 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.64 -34.35 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -29.49 26.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.59 8.98 25.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -120.45 122.97 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.43 -42.63 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.5 -20.46 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.81 50.45 24.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.66 -15.95 16.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.13 4.71 29.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -119.8 129.47 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.81 122.92 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -105.26 -170.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -71.09 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.44 -28.61 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.4 -27.63 21.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -71.44 -42.27 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.37 -26.37 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.53 -21.7 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -63.17 -15.8 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.53 10.84 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.4 p -113.66 48.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.73 50.8 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.42 20.95 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.6 p -49.17 -50.41 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -83.62 -12.35 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.628 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.52 -177.64 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.78 33.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.28 -26.91 5.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 42.3 m -49.58 -65.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.434 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.23 -55.31 16.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -53.19 -35.22 59.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.49 -50.2 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -57.74 -55.25 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 163' ' ' VAL . 4.8 tt -57.69 -42.89 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 159' ' ' ILE . 23.2 mtpp -65.04 -38.98 92.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.04 HD22 ' HB2' ' A' ' 15' ' ' ALA . 36.1 mt -65.57 -39.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -67.85 -50.27 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.2 m -66.0 -29.77 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -73.22 -56.81 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.09 -24.83 74.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -51.23 -31.96 22.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -102.76 177.48 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.18 -22.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.82 -49.7 58.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.17 -49.64 51.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CG ' HD11 ' A' ' 69' ' ' LEU . 9.7 m-85 -61.53 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -51.75 -45.85 63.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.6 mp0 -69.49 -38.5 77.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -57.25 -45.71 83.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.42 -44.08 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -51.46 -49.73 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -74.3 -17.34 60.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -136.43 144.23 44.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -90.6 0.93 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -21.05 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.11 48.89 38.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.415 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.38 -20.09 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.4 15.94 59.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 2.8 mp -134.35 124.32 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 165.91 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -52.8 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -49.14 -31.34 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.3 tt0 -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.29 -29.91 66.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.81 5.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.43 -43.62 93.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 31' ' ' GLU . 68.7 t -54.14 -50.82 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.6 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 8.6 ttp -65.35 -45.0 85.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.47 -23.47 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.791 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -17.76 58.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.694 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -94.27 19.83 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.31 85.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -69.17 174.98 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.42 68.61 13.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.566 0.698 . . . . 0.0 110.823 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.95 61.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -109.99 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.11 -49.33 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.61 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -58.28 -56.16 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.25 -57.46 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -52.17 -41.79 62.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.34 -60.18 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttt -49.9 -56.61 9.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 29' ' ' THR . 35.1 mm -49.37 -62.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -56.02 -23.65 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -83.19 -23.79 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.61 22.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -131.1 96.21 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -16.85 61.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -23.89 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.77 48.05 87.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -82.91 -19.75 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.31 8.12 25.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -147.31 169.45 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 52' ' ' ILE . 1.3 mt -100.97 121.59 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.18 175.44 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.26 -56.54 12.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.83 -31.99 19.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -51.11 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -54.63 -39.42 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -62.99 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.2 m -78.92 -47.1 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -19.9 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -89.93 -56.75 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.64 34.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -54.11 -27.4 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.84 -21.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -51.74 -30.21 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -52.33 -29.82 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -94.64 101.54 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.9 p -64.92 -25.04 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.78 98.29 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -92.84 10.09 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -60.43 -33.36 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.807 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -59.67 -60.91 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.46 -47.82 84.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.426 HG23 ' HE1' ' A' ' 141' ' ' PHE . 71.9 mt -53.63 -70.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -46.98 -49.11 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 91' ' ' VAL . 16.5 tp10 -53.59 -37.23 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.08 -60.92 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -21.52 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -80.06 -41.73 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -76.59 -23.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' HE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-85 -72.55 -45.71 57.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -71.94 90.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.812 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -50.65 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -22.35 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.97 48.39 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.71 -14.08 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.53 8.76 24.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -152.46 147.56 26.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 105' ' ' LEU . 84.0 mt -103.18 113.24 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -92.27 167.4 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.56 63.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.78 -67.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 108' ' ' VAL . 69.5 mt-10 -51.57 -50.96 59.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 100' ' ' ILE . 5.6 tp -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -55.68 -51.26 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -62.6 -32.19 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.6 t -63.84 -58.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.85 -37.91 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.3 m -66.0 -32.7 74.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -47.98 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.426 HD21 HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.87 -18.94 28.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 152.06 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -113.4 124.71 53.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.5 pp -127.95 165.57 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -110.58 163.81 13.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -51.55 -36.46 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -39.17 93.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -57.39 -68.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.79 -48.09 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.23 -30.12 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 79.1 tt0 -74.33 -61.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.56 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.9 ptm -52.09 -33.69 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 105' ' ' LEU . 23.9 mm -78.07 -43.0 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -62.4 -28.35 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.58 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -103.83 102.91 12.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.13 -34.63 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.59 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.84 37.9 75.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.51 15.35 14.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.4 16.03 68.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -134.59 135.51 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.5 116.31 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -91.06 164.03 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.439 ' O ' HG13 ' A' ' 142' ' ' VAL . 68.4 t80 -65.12 -46.35 81.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 142' ' ' VAL . 25.0 mm-40 -48.36 -51.46 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.83 -29.21 44.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.426 ' HE1' HG23 ' A' ' 85' ' ' ILE . 42.3 t80 -54.18 -47.99 71.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.4 m -65.1 -24.13 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -60.07 -20.43 58.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.74 -16.13 56.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 ttp -110.2 11.09 23.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -114.14 40.99 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.48 50.88 1.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.58 21.07 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -50.33 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.2 t -81.06 -12.88 59.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.612 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -82.99 -177.26 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.54 33.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.85 -25.37 4.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 m -49.89 -67.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.789 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.53 -55.88 12.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.517 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.1 m95 -52.35 -36.96 54.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.62 -49.98 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 18' ' ' LEU . 46.1 mtpt -58.47 -58.64 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 108' ' ' VAL . 4.6 tt -53.55 -42.94 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 159' ' ' ILE . 32.2 ttpt -65.11 -44.36 89.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -62.57 -31.86 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.24 -53.77 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' HG ' ' A' ' 39' ' ' LEU . 16.7 m -62.28 -30.31 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -83.44 -60.12 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.61 53.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.6 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -50.54 -40.04 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.74 137.21 41.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.09 -23.55 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.21 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -53.41 -56.55 15.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.93 -47.55 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -50.83 -46.3 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -74.69 -37.07 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.076 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.04 -42.83 73.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -84.06 -45.41 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -51.99 -38.13 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 158' ' ' LYS . 1.2 pp -76.3 -27.85 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.3 128.87 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -90.03 -24.18 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.02 -21.06 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 36.99 93.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.419 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 p30 -77.71 -12.73 60.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.12 19.02 8.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.525 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 t -167.89 169.0 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 111.157 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -131.32 122.11 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -89.9 168.12 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.97 -41.91 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.95 -58.35 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 mt-10 -51.66 -64.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 51' ' ' MET . 0.4 OUTLIER -48.9 -40.94 31.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.87 -66.97 2.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.8 t -54.82 -36.61 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' GLU . 53.8 t -59.68 -56.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.63 ' HG3' ' HB1' ' A' ' 166' ' ' ALA . 7.5 ttm -58.49 -41.7 85.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt-85 -69.89 -24.65 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 112' ' ' LEU . 2.3 p -58.1 -20.44 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.742 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -97.37 20.15 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.48 -8.21 75.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -65.07 158.14 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.81 70.16 13.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.21 19.01 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.677 2.252 . . . . 0.0 112.354 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -110.26 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -48.58 -49.12 37.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.18 79.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.72 -56.21 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 29' ' ' THR . 31.1 mt -53.63 -59.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -54.59 -36.36 64.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.07 -62.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 4.5 tpp -51.38 -56.78 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.651 HG13 HG23 ' A' ' 29' ' ' THR . 34.0 mm -50.57 -62.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -56.43 -22.71 33.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.15 -25.61 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HG12 ' A' ' 63' ' ' ILE . 5.6 m -113.7 26.04 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -107.47 115.55 30.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.08 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.59 -40.37 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.7 50.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -102.47 -20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.39 9.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.6 p -139.61 169.47 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.466 HG12 HG21 ' A' ' 55' ' ' VAL . 4.5 mt -107.18 124.13 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.45 -178.13 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -66.78 -56.61 13.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 -33.82 15.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -51.39 -66.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -49.81 -49.12 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -45.54 62.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.5 m -64.78 -41.94 95.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.54 -54.35 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.15 -31.95 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.13 -19.92 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -54.07 -27.94 35.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -60.9 -19.09 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.5 ttm -53.84 -26.93 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -51.48 -30.54 20.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.53 175.76 9.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -61.28 -39.54 90.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.69 39.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 p -97.06 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 85' ' ' ILE . 25.2 mt-10 -57.25 -50.08 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -50.19 -57.43 7.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -54.31 -51.02 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.723 HG21 HG12 ' A' ' 142' ' ' VAL . 20.7 mt -51.61 -71.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -47.97 -38.87 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 tt0 -58.44 -41.13 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.69 -60.79 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -57.28 -24.78 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -76.13 -44.82 36.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -73.98 -22.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.2 m-30 -77.81 -38.41 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -84.89 90.48 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -51.7 -61.01 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -69.95 -20.74 63.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.26 37.06 94.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -69.52 -19.36 63.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.78 13.92 18.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -153.55 129.53 10.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -96.74 121.32 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -97.3 167.03 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.61 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.26 -66.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.7 mt-10 -51.38 -55.96 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.552 HD21 ' CE ' ' A' ' 124' ' ' MET . 7.4 tp -51.58 -44.45 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -57.49 -51.74 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.08 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.9 t -68.11 -55.43 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ttm -71.87 -28.37 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 m -77.17 -34.26 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -55.39 -25.94 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -77.92 -30.1 50.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 26.3 5.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -108.84 104.35 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -66.76 117.0 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 121' ' ' VAL . 0.8 OUTLIER -111.46 167.26 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.88 157.85 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.55 -39.75 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.37 -43.65 98.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.04 -69.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 116' ' ' LEU . 91.2 t -54.41 -44.9 68.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.76 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -51.97 -36.1 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.552 ' CE ' HD21 ' A' ' 105' ' ' LEU . 5.7 ttt -54.92 -59.5 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HA2' ' A' ' 134' ' ' GLY . 28.2 mm -60.72 -43.02 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.214 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -61.39 -28.52 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -90.32 -24.09 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 136' ' ' VAL . . . -83.82 -29.37 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -104.5 115.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -55.97 -22.84 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -21.83 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.72 42.48 91.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -94.11 -10.11 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 125' ' ' ILE . . . 110.37 -2.81 29.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -118.16 130.8 56.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 128' ' ' ALA . 24.8 t -104.94 115.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -93.41 -175.42 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 9.6 t80 -69.61 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.53 -31.69 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -84.69 -24.48 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 85' ' ' ILE . 36.5 t80 -75.28 -34.23 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.723 HG12 HG21 ' A' ' 85' ' ' ILE . 3.8 m -76.49 -22.17 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.39 -20.77 31.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -62.66 -15.95 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.3 ttp -110.55 11.11 23.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.1 p -116.24 49.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 51.81 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.8 21.38 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.5 p -49.74 -50.11 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.7 t -93.36 19.37 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -110.65 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.51 32.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.74 -27.48 6.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.1 m -51.44 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -52.46 27.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.484 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 98.7 m95 -57.65 -35.54 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ARG . . . . . 0.417 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 12.3 mmt180 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 18' ' ' LEU . 33.9 ttpt -67.11 -53.42 30.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.729 HD11 HG11 ' A' ' 108' ' ' VAL . 7.1 tt -56.89 -46.32 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.513 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -67.8 -33.24 74.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.076 HD22 ' HB2' ' A' ' 15' ' ' ALA . 11.6 mt -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.533 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.3 -47.47 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 39' ' ' LEU . 7.3 m -66.17 -31.17 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -76.91 -51.19 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.83 -25.6 75.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.63 ' HB1' ' HG3' ' A' ' 36' ' ' MET . . . -55.54 -38.3 69.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -107.43 114.93 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.575 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.58 -24.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.83 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -52.83 -63.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -56.66 -41.6 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -50.94 -53.15 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.63 -34.72 67.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.099 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.92 -39.42 71.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -88.51 -40.06 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -54.45 -37.45 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.5 pp -70.94 -22.63 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.24 -70.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -59.5 103.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -90.45 -23.33 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -20.51 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.45 50.8 47.3 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -19.86 13.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.21 30.15 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -156.07 164.12 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 63' ' ' ILE . 2.6 mp -134.22 122.44 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -88.63 162.94 16.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.602 HG23 HG13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -53.37 -40.3 64.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 mt-10 -60.46 -70.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -50.49 -43.86 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.7 -64.97 3.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.0 m -53.08 -37.9 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 75.9 t -56.27 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.11 -42.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.39 -31.98 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -9.15 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.784 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER -93.77 20.14 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.95 15.39 79.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -107.35 168.18 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -123.41 68.32 39.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.09 18.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -109.76 -179.77 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.93 -41.04 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.78 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.16 -50.6 73.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 29' ' ' THR . 13.0 mt -63.01 -56.03 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.49 -38.21 66.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.8 -59.63 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.17 9.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HD21 ' A' ' 32' ' ' LEU . 45.8 mm -51.51 -55.29 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -60.89 -22.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -86.88 -22.88 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.47 23.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -138.59 105.12 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.87 -17.52 27.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -35.77 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.28 49.58 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.74 -21.2 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.84 11.37 55.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.56 142.5 32.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 27' ' ' ILE . 2.7 mt -82.05 138.75 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.39 179.58 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.24 -56.87 11.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 70' ' ' THR . 54.1 Cg_endo -69.66 -32.62 18.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -50.2 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -49.89 -43.51 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -46.56 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' PRO . 11.0 p -65.52 -46.26 80.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.6 ttp -52.34 -52.88 50.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.41 -48.1 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.57 -30.08 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.46 -28.52 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.05 -25.98 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -25.7 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.18 -29.87 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.06 106.72 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.3 m -51.63 -31.74 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.0 103.94 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -85.0 3.12 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.66 -37.13 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -55.7 -59.76 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.47 -53.32 59.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.9 mt -49.57 -70.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -47.01 -46.08 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.653 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.1 mm-40 -53.39 -39.37 64.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.61 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.89 -19.8 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -82.4 -37.84 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -80.38 -23.32 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.1 m-85 -72.38 -29.51 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.65 89.07 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -56.05 -52.73 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -69.62 -20.99 63.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.99 42.22 99.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.525 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -78.51 -16.57 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 6.11 28.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -151.81 141.09 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 105' ' ' LEU . 96.2 mt -90.63 132.38 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.7 m -108.56 165.29 11.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.41 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -71.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pt-20 -55.87 -41.58 74.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 100' ' ' ILE . 4.7 tp -57.99 -57.58 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HG2' HG21 ' A' ' 121' ' ' VAL . 33.7 mtp180 -53.21 -44.98 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.486 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 m-70 -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.3 t -59.76 -46.1 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 107' ' ' HIS . 6.5 t -50.5 -31.53 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.53 -60.23 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.95 -15.85 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.2 10.37 39.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.34 107.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -54.98 111.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.52 134.21 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.9 p -110.09 177.74 4.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -52.21 -35.85 50.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -63.8 -49.53 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.04 -64.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HG2' ' A' ' 106' ' ' ARG . 69.3 t -51.46 -51.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.81 -28.31 63.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.28 -59.82 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.58 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -53.64 -38.07 63.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 HD22 ' A' ' 105' ' ' LEU . 20.4 mm -72.98 -44.86 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -62.9 -27.26 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.2 -40.24 12.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.91 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.07 98.42 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -14.35 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.28 -20.78 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.99 47.04 48.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.05 11.21 29.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.58 18.0 69.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -136.32 132.7 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.14 124.07 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -104.71 163.54 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG13 ' A' ' 142' ' ' VAL . 72.9 t80 -58.7 -42.22 88.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 142' ' ' VAL . 7.6 tm-20 -49.28 -58.39 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.16 -25.92 58.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -56.19 -48.5 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.1 m -66.74 -22.96 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.23 -19.87 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.79 -16.11 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.15 10.92 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.3 p -109.53 29.78 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.76 21.25 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -50.76 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.75 -19.61 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -74.17 -177.21 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -86.12 34.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.51 -24.0 5.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 55.1 m -49.79 -67.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.27 -52.31 32.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -56.94 -29.82 63.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -61.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.794 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -49.4 -49.16 46.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 155' ' ' GLY . 6.2 tt -63.9 -44.89 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.485 ' N ' HG23 ' A' ' 159' ' ' ILE . 38.4 ttmt -60.99 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.099 HD22 ' HB2' ' A' ' 15' ' ' ALA . 27.6 mt -67.2 -43.98 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.28 -41.4 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.5 m -79.07 -25.35 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -81.26 -28.83 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -92.8 -49.81 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.456 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -50.98 -31.29 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -76.21 150.89 37.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.44 -22.31 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.62 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.06 -52.28 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.38 -42.77 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.36 -49.75 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.63 -38.55 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.75 -35.84 69.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -51.2 -47.62 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.34 -28.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -58.05 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.12 110.51 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -84.1 -26.08 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 -20.18 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.52 40.37 97.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -20.81 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.13 12.51 19.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -150.31 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.155 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.475 HG22 HD23 ' A' ' 32' ' ' LEU . 2.6 mp -136.35 120.98 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -93.58 170.64 9.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.613 HG23 HG13 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -56.62 -40.85 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -55.69 -41.01 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.5 tt0 -64.22 -69.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -50.77 -52.84 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.17 -52.6 35.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -64.11 -30.52 71.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 31' ' ' GLU . 42.7 t -64.03 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -67.04 -30.94 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -83.48 0.91 44.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 35' ' ' VAL . 2.4 mp -92.45 17.58 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.2 64.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -114.79 163.21 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -117.7 68.48 6.05 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.662 0.744 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.86 48.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -110.66 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.8 -28.57 65.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.74 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.71 -39.47 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.53 -59.2 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -51.65 -45.14 63.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.42 -54.71 43.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tpp -51.73 -59.82 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.697 HD11 HD21 ' A' ' 32' ' ' LEU . 38.4 mm -51.5 -58.48 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -55.45 -25.38 36.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -83.78 -25.84 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 63' ' ' ILE . 5.2 m -113.42 25.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -138.43 107.48 6.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.23 -16.36 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -40.5 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.77 49.51 3.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.36 6.16 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.9 30.57 70.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.2 p -140.75 149.22 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 55' ' ' VAL . 3.9 mt -100.34 122.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -76.4 -174.08 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.2 -60.2 3.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 110.839 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.4 Cg_endo -69.74 -29.47 23.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -50.84 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.88 -47.93 51.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.99 -50.95 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.2 m -58.52 -47.11 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 ttp -56.35 -41.23 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtp -70.78 -62.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.53 18.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -56.2 -26.99 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -20.73 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttt -56.09 -24.9 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -51.66 -30.3 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.98 163.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -70.46 -32.11 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.67 175.5 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 p -95.89 10.21 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -51.8 -38.5 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -55.59 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.38 -52.83 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 142' ' ' VAL . 66.5 mt -48.71 -70.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -46.89 -43.33 18.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 91' ' ' VAL . 24.7 mt-10 -54.79 -41.11 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.47 -60.74 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.94 -20.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -80.99 -44.25 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -72.76 -24.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.6 m-30 -71.22 -57.77 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -70.68 91.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -49.14 -51.34 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.16 -20.41 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.41 35.8 61.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -70.8 -10.55 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.61 8.11 25.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -153.11 140.98 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.2 126.35 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 m -100.01 160.95 13.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.06 22.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.24 -54.38 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 108' ' ' VAL . 31.6 mt-10 -61.26 -41.41 96.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.3 tp -65.9 -64.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.811 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -51.15 -33.85 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -70.98 -41.85 70.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.2 t -64.9 -36.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.4 ttm -80.91 -31.38 35.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.9 m -77.18 -33.63 56.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.81 -52.69 47.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.42 29.86 5.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.441 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.95 108.27 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -77.76 112.47 14.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.59 173.28 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.42 161.34 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -51.59 -40.28 59.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -62.51 -39.84 94.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.91 -69.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.99 -44.38 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -51.2 -56.53 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.32 -40.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.511 ' HE2' HD21 ' A' ' 105' ' ' LEU . 27.7 mtp -52.46 -55.38 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.36 -41.96 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.06 -29.44 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.55 -37.46 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.95 -2.75 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.2 110.24 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.492 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.6 mt -62.5 -47.54 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -20.71 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.42 48.04 72.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.29 -16.45 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.96 3.77 29.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -122.26 129.46 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 t -97.01 114.64 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -90.31 178.67 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 142' ' ' VAL . 7.7 t80 -70.72 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -50.99 -34.2 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 130' ' ' ILE . 20.1 mt-10 -83.52 -30.86 26.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.32 -56.34 17.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 138' ' ' TYR . 2.7 p -69.19 -24.1 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -75.64 -18.96 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.7 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 3.2 tmm? -73.26 -31.78 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -8.71 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.3 p -89.81 50.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.96 50.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.52 21.16 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.3 p -45.91 -49.87 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.9 p -92.56 -23.89 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.43 -176.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -84.74 34.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.37 -24.3 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.4 t -52.41 -70.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.47 -39.99 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.578 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 96.3 m95 -67.34 -30.64 70.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.679 0.276 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 23.5 ttp180 -72.07 -46.85 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -64.21 -46.52 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 155' ' ' GLY . 7.6 tt -63.62 -47.78 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.1 ptpp? -66.29 -34.21 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.3 mt -69.68 -36.96 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.54 -47.69 59.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 91' ' ' VAL . 7.6 p -63.78 -41.99 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.173 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.698 ' HD2' HD23 ' A' ' 161' ' ' LEU . 8.1 ptp180 -72.66 -33.81 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -67.68 -47.86 59.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . . . -64.97 -39.61 93.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.053 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -115.22 111.44 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.65 -22.2 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.14 -48.14 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.65 -55.49 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -54.89 -48.7 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -50.58 -56.65 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.08 -41.29 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.16 -43.33 82.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -48.58 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 t -51.3 -49.84 60.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 162' ' ' ALA . 0.6 OUTLIER -69.07 -23.81 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.35 -50.79 20.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -97.89 122.21 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -89.69 -30.23 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.16 -20.17 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.33 43.67 97.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -94.65 -20.1 19.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.9 29.17 5.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -169.2 163.1 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.43 123.83 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' THR . 3.4 m -89.35 161.23 16.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.33 -41.18 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.85 -55.4 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.0 mt-10 -56.37 -62.07 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -49.4 -49.64 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.09 -60.48 7.57 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -59.28 -36.12 74.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 31' ' ' GLU . 40.5 t -59.68 -60.89 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.67 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.1 ptp -65.39 -25.05 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -79.07 -24.53 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.56 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.71 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -93.84 20.41 7.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 0.18 89.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.06 147.94 36.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -114.22 72.44 2.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -110.39 175.27 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.88 -48.1 60.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.54 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -58.64 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' THR . 25.6 mt -53.09 -55.76 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -55.11 -37.71 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.8 -62.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -51.57 -57.81 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.684 HG13 HG23 ' A' ' 29' ' ' THR . 31.5 mm -50.78 -60.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -56.3 -24.2 41.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -83.65 -24.76 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.46 HG21 HG12 ' A' ' 63' ' ' ILE . 4.5 m -116.29 25.21 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -133.94 108.71 8.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.65 -16.11 29.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -40.21 18.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.65 18.82 29.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.47 5.28 35.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.7 30.63 69.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.8 p -134.43 165.44 25.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.744 0.307 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 55' ' ' VAL . 4.7 mt -106.46 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -173.88 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -69.95 -59.48 4.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.687 0.756 . . . . 0.0 110.901 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.77 -30.27 22.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -51.85 -66.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -50.56 -46.63 57.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.95 -51.08 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -60.13 -43.44 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.78 -62.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.1 ttp -59.7 -51.39 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.22 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -51.86 -52.52 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.92 -26.79 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -20.73 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -30.35 20.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -52.64 141.4 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.8 m -73.26 -54.23 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.62 119.64 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -96.16 9.51 40.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.18 -36.15 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -56.14 -60.02 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.75 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.516 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.8 mm -48.79 -70.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -47.07 -48.68 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.673 ' O ' HG13 ' A' ' 91' ' ' VAL . 36.6 mt-10 -51.29 -38.08 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.61 -51.22 58.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.55 -19.13 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -35.01 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.2 m -80.4 -28.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.2 m-30 -74.04 -41.88 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.6 90.63 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.81 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -69.33 -20.44 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.04 35.66 90.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.97 -20.52 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 15.6 11.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -153.67 138.27 16.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.717 HG21 HD13 ' A' ' 105' ' ' LEU . 90.7 mt -100.9 119.55 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 m -98.17 -178.03 3.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.445 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -66.54 -28.21 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.32 -59.96 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.7 mt-10 -60.06 -44.31 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.731 HD22 HD11 ' A' ' 125' ' ' ILE . 2.4 tp -61.36 -64.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.656 ' O ' HG23 ' A' ' 110' ' ' THR . 10.2 ptm180 -50.96 -35.22 32.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -66.05 -44.4 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' GLU . 55.3 t -64.54 -38.84 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mmt -67.17 -61.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 106' ' ' ARG . 29.5 p -53.15 -44.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.44 -45.19 62.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -61.67 -26.56 68.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.24 30.48 3.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -126.69 89.9 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.38 130.63 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 169.63 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.1 161.8 15.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -51.64 -37.64 51.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.52 -38.55 90.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.61 -67.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.445 HG11 ' HB1' ' A' ' 102' ' ' ALA . 74.6 t -53.84 -50.29 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.16 -34.43 66.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.48 -63.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.577 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.1 ptm -51.36 -32.31 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.731 HD11 HD22 ' A' ' 105' ' ' LEU . 15.7 mm -70.94 -60.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -54.03 -27.36 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.15 -31.54 20.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' A' ' 136' ' ' VAL . . . -76.31 -21.86 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -110.31 120.1 41.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -66.33 -17.56 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -21.71 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.03 43.83 94.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.56 -10.09 44.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.54 0.19 40.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -124.79 130.0 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 128' ' ' ALA . 16.2 t -97.12 112.09 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.06 164.95 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.5 t80 -62.83 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -48.83 -55.82 10.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -75.38 -28.94 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.516 ' HE1' HG23 ' A' ' 85' ' ' ILE . 40.3 t80 -53.98 -49.1 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.3 m -64.85 -21.59 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.8 -19.72 65.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.71 -17.23 54.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -110.41 10.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -111.25 34.92 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 107.59 50.85 0.78 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -96.47 21.22 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -49.14 -50.35 37.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 65.8 p -80.15 -13.78 58.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.624 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.98 -177.15 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.23 33.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.29 -25.98 4.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 t -49.82 -67.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.56 -52.34 24.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.621 ' CH2' HD21 ' A' ' 105' ' ' LEU . 92.9 m95 -55.76 -35.5 66.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 160' ' ' LYS . 14.8 tpp180 -68.35 -40.76 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.583 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -68.06 -53.03 28.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.611 ' O ' HG13 ' A' ' 163' ' ' VAL . 6.1 tt -58.9 -45.02 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -67.96 -33.96 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.087 HD22 ' HB2' ' A' ' 15' ' ' ALA . 10.9 mt -68.57 -36.0 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.44 -46.27 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.71 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.7 m -67.29 -32.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.481 ' NE ' HD23 ' A' ' 161' ' ' LEU . 8.7 ptt180 -84.41 -31.3 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.47 -27.66 54.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.52 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -52.24 -40.11 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -121.13 -178.13 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.2 -22.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.7 -48.17 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -50.88 -65.46 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.17 -41.33 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -49.42 -58.43 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.1 tm-20 -66.51 -32.95 74.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.007 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -54.22 -51.58 64.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -77.62 -38.26 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -50.47 -48.4 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -70.9 -27.42 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' HG11 ' A' ' 35' ' ' VAL . 6.8 t80 -66.44 -18.55 65.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.61 102.04 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.92 -23.34 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.94 -20.74 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.14 46.92 92.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -77.78 -8.57 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.67 -1.34 45.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -164.57 165.49 21.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' A' ' 63' ' ' ILE . 3.5 mp -127.12 132.98 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 29' ' ' THR . 2.7 m -95.01 163.88 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.671 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.39 -42.18 31.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -58.66 -60.77 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-10 -53.44 -55.13 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -54.54 -49.54 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -51.45 -55.97 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -61.0 -34.42 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.2 t -67.77 -37.19 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.733 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.6 ptp -84.68 -19.63 32.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -90.16 -22.47 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -15.32 45.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.771 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.4 mm? -89.32 19.26 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 13.63 83.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.531 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -90.08 156.92 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -113.87 72.97 2.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 137.8 36.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.84 172.67 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -52.48 -44.65 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.72 -59.33 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.564 ' HB3' HG22 ' A' ' 29' ' ' THR . 29.7 mt -51.97 -59.27 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -51.81 -41.67 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.13 -64.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 mtm -50.44 -59.85 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.671 HG13 HG23 ' A' ' 29' ' ' THR . 35.8 mm -49.25 -59.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.03 -27.45 32.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -80.19 -27.77 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 52' ' ' ILE . 4.4 m -109.36 23.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -129.82 108.09 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.76 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.51 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 48.1 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.23 9.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.05 30.63 74.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -139.7 154.81 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -113.01 133.21 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 92.0 m-20 -93.34 173.51 7.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 2.0 t80 -63.26 -55.04 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.5 Cg_endo -69.77 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.45 -58.27 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 63' ' ' ILE . 51.3 t80 -55.8 -48.98 74.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -47.79 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.2 m -65.25 -42.0 93.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -53.22 -57.1 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.0 ptm -70.68 -33.4 70.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.48 -33.56 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.32 -30.73 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.07 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -51.72 -30.5 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -52.04 -29.85 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -109.61 102.62 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -60.32 -25.04 65.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.09 101.36 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -95.2 7.1 47.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.54 -36.34 44.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.11 -59.85 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.54 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.623 HG23 ' HE1' ' A' ' 141' ' ' PHE . 83.4 mt -49.36 -71.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -47.56 -46.17 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.625 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.9 mm-40 -53.14 -38.37 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.518 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.41 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -59.56 -19.76 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -81.87 -40.13 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -77.76 -24.28 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.3 m-30 -73.27 -42.0 62.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.68 84.43 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -50.68 -53.17 33.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.1 -20.85 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.19 39.04 94.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -73.23 -16.12 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.12 4.75 29.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -151.9 134.72 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 105' ' ' LEU . 72.5 mt -86.8 133.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.0 m -110.24 164.87 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.88 -19.53 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.12 -70.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.2 pt-20 -58.66 -42.79 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 100' ' ' ILE . 7.7 tp -55.18 -59.49 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -55.77 -42.25 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.433 ' HA ' HG22 ' A' ' 110' ' ' THR . 2.2 m-70 -62.98 -32.38 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.5 t -72.97 -44.59 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.454 ' CB ' HD21 ' A' ' 116' ' ' LEU . 10.3 mmt -65.47 -38.86 91.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 107' ' ' HIS . 13.9 t -77.49 -33.86 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -52.16 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -21.3 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.22 -6.81 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.63 115.43 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -81.76 111.33 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -124.93 168.85 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 120' ' ' GLU . 4.1 t -110.17 160.67 16.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.4 -36.44 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.88 -45.54 93.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.481 ' H ' HG23 ' A' ' 117' ' ' THR . 8.3 mt-10 -51.84 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.1 -42.39 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.44 -56.74 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.19 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttt -55.62 -48.39 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.648 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -72.9 -50.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -56.07 -25.52 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.0 -39.31 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.87 -1.65 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -120.29 107.53 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.7 mt -62.97 -46.81 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -20.65 57.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.31 37.6 86.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.62 11.73 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.63 9.77 86.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -127.05 129.54 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.0 t -96.33 122.74 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.72 164.43 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.21 -52.34 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.68 -37.15 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.71 -28.95 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.9 t80 -63.14 -47.7 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.82 -24.86 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.28 -22.95 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.414 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.3 mpp? -65.21 -14.07 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.9 ttp -110.54 10.95 23.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -120.61 48.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.76 50.95 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.76 21.03 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.069 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 57.5 p -48.48 -47.78 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 17.1 p -86.77 -14.82 41.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -79.24 -178.24 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.98 32.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.29 -26.4 6.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.4 m -50.89 -65.08 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.47 -53.19 25.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.524 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 95.3 m95 -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.28 -47.32 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.61 ' CG ' HD22 ' A' ' 18' ' ' LEU . 10.8 tttp -61.06 -56.01 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 163' ' ' VAL . 3.5 tt -57.35 -41.28 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.026 0.441 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.46 ' HA ' HG22 ' A' ' 163' ' ' VAL . 37.1 ttmt -68.27 -36.62 79.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 15' ' ' ALA . 20.0 mt -68.14 -35.41 78.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.913 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.95 -47.64 36.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.771 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.8 m -66.04 -33.52 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.557 ' HD3' HD23 ' A' ' 161' ' ' LEU . 8.7 ptm180 -82.23 -32.75 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.61 -26.52 58.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.733 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -72.08 -30.39 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.19 -16.68 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.872 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -71.8 -21.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.59 -47.2 58.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.55 ' HG2' HD23 ' A' ' 161' ' ' LEU . 1.2 mt-10 -51.88 -55.05 22.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.65 -47.22 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -51.57 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -52.19 -42.63 63.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -54.91 -51.54 65.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -62.22 -39.76 93.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -57.65 -50.4 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 18' ' ' LEU . 4.4 pp -76.69 -14.08 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -82.21 -69.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.45 141.39 58.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -85.31 -35.02 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.1 -20.76 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.78 50.41 66.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -81.35 -6.72 59.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.27 24.37 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -169.75 160.42 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.178 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.61 HG22 HD23 ' A' ' 32' ' ' LEU . 6.7 mt -130.25 127.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -100.43 164.97 11.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 52' ' ' ILE . 1.1 p -48.45 -34.28 10.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -59.15 -54.13 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.678 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -54.31 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.785 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -48.91 -44.94 40.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.71 -65.1 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -56.05 -37.99 70.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 19' ' ' PHE . 58.2 t -54.33 -66.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.751 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.9 ptp -60.58 -27.69 67.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -74.55 -23.4 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.723 ' OG ' HD12 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -69.9 -10.92 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.742 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.1 mm? -92.67 -5.15 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.19 8.94 37.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -122.0 97.99 5.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -75.93 113.42 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 163.62 37.67 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.7 t -110.99 167.05 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -51.36 -47.76 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 44' ' ' THR . 10.9 mm-40 -59.67 -66.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.657 HD22 HD12 ' A' ' 32' ' ' LEU . 47.3 mt -49.56 -54.21 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.42 -42.58 74.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.28 -55.29 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.5 tpp -52.44 -59.44 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.764 HD11 HD21 ' A' ' 32' ' ' LEU . 46.7 mm -49.26 -58.55 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -60.61 -21.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -85.17 -23.28 28.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 63' ' ' ILE . 11.3 m -114.25 24.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.72 100.5 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.38 -18.34 61.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.93 -35.55 6.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 50.24 4.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.46 -20.71 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.12 13.9 23.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -145.28 158.64 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 HG21 ' A' ' 55' ' ' VAL . 3.1 mt -93.52 136.38 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.86 -179.86 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.59 -57.17 10.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.9 Cg_endo -69.74 -33.85 15.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.67 -67.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -50.34 -50.09 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -46.03 36.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.6 m -66.91 -40.32 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ttp -56.27 -56.92 15.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.89 -32.96 73.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.54 71.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -59.54 -34.5 72.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -55.55 -27.18 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ttt -58.05 -26.03 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -52.18 -52.34 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.45 102.01 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -56.31 -24.84 46.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.79 102.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -90.17 -23.39 21.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -48.81 -36.1 15.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.35 -58.72 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.39 -55.97 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.57 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.7 mm -49.08 -69.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -46.56 -52.63 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.4 tp10 -49.76 -36.86 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -63.74 -57.3 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -63.67 -19.35 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -34.36 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.8 m -83.81 -25.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -75.44 -25.26 57.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.47 91.06 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -54.08 -62.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -68.98 -20.52 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.92 36.17 81.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -71.43 -20.48 62.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.66 12.76 27.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -147.8 129.57 15.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.973 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 105' ' ' LEU . 73.1 mt -93.05 113.4 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.1 m -96.93 167.6 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.624 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.54 -32.27 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.87 -64.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 108' ' ' VAL . 29.7 mt-10 -52.25 -57.12 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 100' ' ' ILE . 5.9 tp -51.49 -42.06 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.671 ' CG ' HG21 ' A' ' 121' ' ' VAL . 43.7 mtm180 -58.8 -55.63 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.39 -26.75 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 104' ' ' GLU . 52.1 t -67.56 -53.81 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mtm -77.72 -20.67 53.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -81.25 -39.87 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.45 -27.16 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.723 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -73.58 -18.75 61.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.44 -15.11 30.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.69 116.18 17.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -80.61 123.57 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -116.27 162.82 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -109.14 162.35 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.21 -35.38 49.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.34 -40.2 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.17 -65.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 106' ' ' ARG . 99.5 t -53.87 -47.2 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.51 -31.2 70.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.36 -63.23 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -51.49 -39.25 57.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -69.58 -49.66 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.0 -29.58 65.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.58 -27.49 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.7 9.36 24.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -120.78 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.5 -42.46 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -20.56 25.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.27 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -9.21 21.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.06 6.36 48.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -123.09 129.62 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 t -96.47 128.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -109.99 -169.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' HG13 ' A' ' 142' ' ' VAL . 10.4 t80 -73.02 -60.46 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.32 -28.18 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.69 -28.32 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.1 t80 -71.59 -33.42 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.7 m -77.89 -26.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.49 -20.92 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -65.1 -13.71 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 10.88 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 p -114.93 46.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.21 51.04 1.8 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.49 21.18 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -50.13 -50.25 49.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.64 -22.23 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -67.62 -177.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.43 33.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.25 -24.54 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -50.38 -67.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.28 -49.99 42.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 105' ' ' LEU . 89.7 m95 -58.9 -29.84 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -71.4 -59.37 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -49.61 62.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.0 tt -62.9 -44.03 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 159' ' ' ILE . 34.0 ttmt -64.37 -34.22 77.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -72.11 -37.81 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -69.38 -41.21 76.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' HG ' ' A' ' 39' ' ' LEU . 36.0 m -73.12 -38.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.474 ' HD3' HD22 ' A' ' 161' ' ' LEU . 9.1 ptm180 -76.34 -30.88 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -88.65 -23.22 36.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.751 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.56 -38.88 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.714 0.292 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -113.81 -173.31 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.56 -22.49 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.78 60.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.55 -47.72 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -51.01 -57.99 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.79 -44.4 73.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -57.26 -38.53 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.07 -66.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -52.07 -26.74 11.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.95 -70.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -7.27 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -106.38 86.86 2.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -14.69 32.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.25 -20.61 37.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.82 58.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -20.39 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.22 26.12 22.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -153.95 167.93 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.1 135.17 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 31' ' ' GLU . 14.6 t -100.24 170.75 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' HD21 ' A' ' 32' ' ' LEU . 1.3 p -59.77 -39.92 86.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -59.59 -39.91 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.4 mt-10 -62.51 -69.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 HD22 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -49.71 -47.46 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.81 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.61 -43.12 79.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' GLU . 34.1 t -50.52 -62.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.683 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.1 ptp -61.84 -31.28 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -67.82 -27.7 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -13.42 59.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.0 mm? -93.67 20.07 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 17.59 79.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.14 152.3 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.28 67.3 6.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 156.94 61.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -111.21 163.27 14.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.54 -38.73 55.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.1 89.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.8 -54.93 41.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -57.82 -58.5 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.38 -38.23 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.56 -60.21 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mtt -51.4 -53.26 38.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG13 ' A' ' 63' ' ' ILE . 7.9 mm -50.27 -58.67 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.6 -16.73 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.37 -31.98 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 HG12 ' A' ' 63' ' ' ILE . 4.9 m -100.47 -14.82 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 102.2 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.43 -17.98 46.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -111.65 -40.41 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 50.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.78 -20.41 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 21.65 10.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 p -146.48 170.66 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 111.161 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.784 HG12 HG21 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -102.3 122.62 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.43 177.82 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.94 -56.68 10.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.84 -34.09 15.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.2 -61.37 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -57.66 -39.73 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -61.41 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -62.97 -34.8 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.2 ttp -53.74 -52.38 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 ptm -83.95 -19.62 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.11 -23.41 34.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.36 -25.93 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -81.16 -12.82 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttp -81.57 -0.08 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -55.27 -25.79 36.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t0 63.62 38.45 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -97.99 -33.81 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.71 83.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 m -77.65 -28.06 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.55 -47.37 57.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -58.1 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.15 -46.76 79.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.66 -71.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -48.2 -41.12 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.62 -40.13 74.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.15 -60.47 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 100' ' ' ILE . 31.8 t80 -59.13 -21.41 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -79.95 -42.37 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.9 m -75.36 -24.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.9 m-85 -71.95 -45.46 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.75 91.13 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -49.17 -63.04 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.98 -20.52 63.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.65 37.01 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.548 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -70.29 -13.24 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.44 8.7 24.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -152.22 143.45 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 89' ' ' PHE . 78.8 mt -98.34 113.51 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.9 m -86.04 167.17 15.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.76 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.44 25.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -59.71 -47.87 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 125' ' ' ILE . 14.2 tp -61.49 -63.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.663 ' O ' HG23 ' A' ' 110' ' ' THR . 30.0 ptt85 -50.63 -33.81 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -68.28 -44.28 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.09 -34.11 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.625 ' HG2' HD22 ' A' ' 116' ' ' LEU . 28.0 tpp -71.04 -58.25 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 106' ' ' ARG . 30.9 p -56.91 -50.52 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -52.94 -34.87 57.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.521 HD11 HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.56 -28.88 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.19 27.11 4.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -108.47 177.92 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.3 tttm -114.98 112.33 22.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.625 HD22 ' HG2' ' A' ' 109' ' ' MET . 2.0 mp -147.75 132.66 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.2 p -106.49 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -50.9 -34.69 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.83 -54.86 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.72 -58.2 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.3 t -53.76 -53.19 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -56.34 -29.45 61.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -62.41 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -51.49 -37.01 47.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -70.51 -50.83 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -29.94 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -87.26 -35.01 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.07 3.83 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -121.13 133.46 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 140' ' ' GLU . 3.5 mm -80.43 -44.58 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.198 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -20.38 28.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.01 40.12 95.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.83 6.29 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.8 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.87 3.48 83.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.576 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.89 129.75 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 125' ' ' ILE . 14.9 t -97.35 116.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -95.17 160.84 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG13 ' A' ' 142' ' ' VAL . 65.0 t80 -57.89 -44.26 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -57.28 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 130' ' ' ILE . 7.0 pt-20 -74.64 -22.39 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.66 -48.97 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -69.66 -28.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.26 -24.73 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.9 tmm? -65.93 -25.04 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 mtp -94.75 -2.07 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 142' ' ' VAL . 31.0 p -99.65 51.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.14 51.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -94.25 21.8 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -47.69 -48.77 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.5 t -100.11 -16.34 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.87 -177.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.69 33.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.95 5.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.407 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.4 p -49.44 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.8 -54.46 21.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -53.5 -34.03 56.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -67.76 -51.92 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -56.18 -53.68 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 155' ' ' GLY . 4.1 tt -59.83 -42.83 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.8 ttmt -62.34 -45.94 90.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -61.62 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -62.99 -50.36 71.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.6 m -67.65 -26.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.471 ' NH2' HD22 ' A' ' 161' ' ' LEU . 41.6 mtm180 -73.95 -57.35 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.06 -28.88 73.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.31 -31.22 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -109.36 119.64 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.71 -21.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.17 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 161' ' ' LEU . 5.7 mm-40 -51.2 -50.8 58.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 69' ' ' LEU . 8.0 m-85 -63.41 -40.5 97.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -54.52 -58.15 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HG3' HD13 ' A' ' 161' ' ' LEU . 13.7 pt-20 -61.66 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.776 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.34 -36.52 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.92 -47.7 24.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.795 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -52.06 -49.44 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -68.06 -18.95 64.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -64.6 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.78 116.99 22.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.1 -22.42 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -20.22 33.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.0 49.41 59.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -97.1 -20.14 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 22.74 7.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -163.62 163.04 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HD23 ' A' ' 32' ' ' LEU . 13.0 mt -127.66 124.3 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -94.59 168.09 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' HD21 ' A' ' 32' ' ' LEU . 18.0 p -54.2 -31.27 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -60.39 -49.08 79.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.7 mt-10 -61.66 -69.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -48.94 -43.17 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.44 5.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.4 m -58.09 -37.17 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.4 t -58.84 -60.57 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.703 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 22.0 ptp -68.17 -19.91 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -74.86 -37.13 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 1.01 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.824 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -93.15 19.78 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 20.88 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -119.48 157.65 27.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -112.74 76.91 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 130.87 20.21 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.764 2.309 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -110.61 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.45 -48.1 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.4 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.62 -62.09 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 32' ' ' LEU . 19.0 mt -53.91 -54.32 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -53.99 -45.01 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -56.19 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mmt -50.45 -59.71 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.79 HD11 HD21 ' A' ' 32' ' ' LEU . 48.1 mm -51.15 -58.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.26 -23.78 38.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.64 -25.03 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -116.69 26.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -136.09 105.34 6.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.94 -13.78 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -40.35 15.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 39.41 5.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' THR . 1.5 p30 -106.08 6.83 31.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.427 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.8 30.37 69.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.8 p -137.47 168.68 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 111.163 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 55' ' ' VAL . 3.2 mt -113.82 130.81 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -85.08 -177.17 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -68.82 -61.11 3.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.715 ' O ' HG23 ' A' ' 70' ' ' THR . 52.9 Cg_endo -69.77 -27.66 26.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.04 -66.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -49.69 -44.43 48.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -51.14 -47.79 61.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 66' ' ' PRO . 9.8 p -66.42 -45.2 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.4 ttp -51.28 -56.86 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.956 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.54 -50.18 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.97 -29.76 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -51.77 -31.33 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.49 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -59.02 -25.26 63.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -52.07 -30.43 25.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.46 160.27 20.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.9 t -102.81 10.2 38.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.62 98.58 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 p -88.27 -20.47 25.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 -36.48 46.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -56.47 -59.85 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -52.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.595 HG23 ' HE1' ' A' ' 141' ' ' PHE . 39.5 mm -50.74 -71.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -46.27 -43.45 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.1 tt0 -55.53 -41.37 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.13 -61.14 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -58.72 -21.03 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.06 -41.37 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -77.68 -22.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 22.7 m-85 -74.22 -50.39 19.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.43 91.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -52.03 -64.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -69.4 -20.76 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.22 92.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.05 -18.28 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.26 17.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -152.65 140.85 20.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.999 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 HD13 ' A' ' 105' ' ' LEU . 69.7 mt -99.78 120.37 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -95.91 179.96 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.726 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -69.83 -27.54 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.44 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.5 mt-10 -58.72 -40.51 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -66.99 -63.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -51.09 -32.01 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -74.34 -41.12 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.8 t -62.32 -44.28 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mtm -73.85 -54.58 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.6 m -55.07 -32.62 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -56.53 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 39' ' ' LEU . 4.1 mp -60.26 -19.5 55.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.33 21.42 6.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.73 147.02 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -104.98 131.11 52.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -157.64 155.84 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -111.85 179.92 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.41 -41.28 76.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.68 -37.39 81.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -59.11 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.726 HG11 ' HB1' ' A' ' 102' ' ' ALA . 27.0 t -51.15 -45.92 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -60.53 -33.32 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 152' ' ' ALA . 7.6 tp10 -71.23 -62.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.534 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.5 ptm -51.19 -39.19 55.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.517 HD11 HD22 ' A' ' 105' ' ' LEU . 17.6 mm -70.64 -44.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -87.41 -41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB2' ' NE1' ' A' ' 156' ' ' TRP . . . -70.04 -24.01 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -114.06 110.89 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -13.75 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.0 -20.55 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.36 39.0 70.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.77 1.33 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.61 5.95 68.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -130.2 133.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.65 106.67 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -85.28 165.11 17.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.498 ' O ' HG13 ' A' ' 142' ' ' VAL . 83.9 t80 -66.45 -45.14 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -48.98 -48.15 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.69 -30.73 29.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.595 ' HE1' HG23 ' A' ' 85' ' ' ILE . 39.6 t80 -52.63 -51.24 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.9 m -61.68 -30.12 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -68.4 -21.64 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 156' ' ' TRP . 5.0 tmm? -67.58 -12.18 59.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.28 11.64 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -105.84 29.95 6.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.04 52.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.775 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -100.2 22.68 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.7 p -45.3 -50.12 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.6 t -76.24 -28.7 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.775 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -64.47 -176.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -85.28 34.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.13 -26.35 4.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.2 m -48.44 -67.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.67 -56.06 12.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.506 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.2 m95 -52.24 -35.1 48.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -52.74 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.643 ' HG3' HD22 ' A' ' 18' ' ' LEU . 13.0 ttpt -54.82 -53.93 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 92' ' ' PHE . 5.4 tt -59.91 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 3.8 mmmp? -62.25 -36.32 81.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 15' ' ' ALA . 6.8 mt -68.06 -46.07 72.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.66 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.824 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -71.79 -31.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -75.59 -33.45 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.45 -47.23 8.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.48 -30.89 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.277 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -120.75 100.21 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.88 -21.37 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.99 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -43.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -67.94 -49.05 64.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -51.28 -42.26 61.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.04 -39.8 60.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.962 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.13 -37.06 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -88.5 -43.11 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -51.11 -48.19 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 18' ' ' LEU . 4.3 pp -70.52 -23.38 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -62.07 1.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -83.09 111.73 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -88.73 -27.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.55 -20.14 61.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.56 47.03 92.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -99.82 -19.95 16.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.33 6.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -167.01 163.82 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' ' 31' ' ' GLU . 8.7 mt -132.42 122.44 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -98.85 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -50.84 -32.19 19.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -60.91 -45.85 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 27' ' ' ILE . 1.1 tt0 -62.94 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -50.49 -43.68 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.11 -62.19 6.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 m -56.35 -29.51 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' GLU . 44.9 t -65.27 -61.29 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -35.75 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -72.84 -31.02 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -76.18 -5.67 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.452 HD21 ' HA ' ' A' ' 163' ' ' VAL . 4.1 mp -92.73 17.26 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 14.39 77.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -107.49 -177.26 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -134.93 74.53 63.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.05 55.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.744 2.296 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 p -110.38 166.77 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.09 -26.91 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.1 59.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.96 -47.77 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 32' ' ' LEU . 12.6 mt -59.1 -61.73 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -52.18 -41.21 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -57.26 -62.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.36 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD21 ' A' ' 32' ' ' LEU . 35.9 mm -51.02 -59.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.31 -23.32 47.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -84.25 -24.82 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 63' ' ' ILE . 5.0 m -117.8 25.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -137.34 104.53 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.69 -15.34 30.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -40.74 16.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.05 43.28 4.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 62' ' ' THR . 0.5 OUTLIER -108.63 4.0 23.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.91 30.25 69.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.413 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 60' ' ' ASN . 26.3 p -137.58 160.14 39.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 55' ' ' VAL . 3.6 mt -111.67 139.55 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -95.67 -178.84 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 t80 -66.99 -56.82 12.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.756 ' O ' HG23 ' A' ' 70' ' ' THR . 52.7 Cg_endo -69.8 -35.69 12.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.661 2.241 . . . . 0.0 112.245 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -49.3 -66.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -50.9 -41.68 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -45.65 79.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 66' ' ' PRO . 12.1 p -65.81 -46.9 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -52.9 -50.3 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -51.97 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.85 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -55.56 -25.73 39.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -65.41 -18.34 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.5 ttp -51.39 -30.49 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -51.7 -30.18 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -114.12 132.95 55.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 p -89.68 10.27 23.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.22 98.62 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 p -90.82 -22.76 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -58.54 -33.77 70.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.04 -61.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.74 -47.59 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.512 HG23 ' HE1' ' A' ' 141' ' ' PHE . 27.9 mm -53.19 -71.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -47.42 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.8 tp10 -53.69 -38.93 64.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.25 -60.72 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.22 -19.9 49.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -81.7 -41.78 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.6 m -75.35 -25.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.3 m-30 -69.76 -43.85 71.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -84.02 90.88 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -50.03 -46.97 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.38 -20.06 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.17 35.48 60.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -70.39 -11.21 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.6 7.38 25.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -153.39 141.75 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 105' ' ' LEU . 97.5 mt -96.62 129.87 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -100.15 165.69 11.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.97 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.91 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 mt-10 -58.06 -46.11 85.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.644 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.6 tp -65.46 -61.98 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -50.41 -31.75 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.31 -44.87 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.4 t -65.2 -29.06 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.0 tpp -86.95 -42.69 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.9 m -67.71 -45.96 73.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -59.44 -35.89 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -24.38 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.1 -17.29 32.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.9 107.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -63.01 140.39 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.664 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -156.25 158.06 36.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -50.57 -39.8 50.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.0 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 HD23 ' A' ' 116' ' ' LEU . 38.1 t -54.81 -47.96 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -51.05 -46.78 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.49 -37.07 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CE2' ' A' ' 156' ' ' TRP . 14.3 mtp -60.38 -41.78 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.15 -44.48 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -62.0 -27.35 68.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -90.33 -40.83 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.66 63.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -104.53 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -13.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.18 -21.01 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.0 45.28 96.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.71 -16.89 23.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.56 6.33 35.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -140.32 132.09 27.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.1 t -88.15 130.12 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -109.86 164.82 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.608 ' O ' HG13 ' A' ' 142' ' ' VAL . 92.2 t80 -65.61 -42.94 91.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -49.49 -49.28 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.82 -31.09 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.512 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.0 t80 -52.34 -48.09 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -65.69 -26.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -84.94 -20.3 30.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 9.9 tmm? -63.69 -20.86 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.62 9.56 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 142' ' ' VAL . 67.9 p -104.48 46.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 50.54 0.24 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.946 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -106.95 22.86 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 t -43.61 -39.24 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -97.37 -25.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -61.89 -176.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.71 33.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.96 -25.4 5.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.71 -57.39 12.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.644 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.5 m95 -52.55 -34.98 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -66.18 -48.89 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.72 -55.48 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 160' ' ' LYS . 6.0 tt -56.54 -45.29 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.6 ttpt -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.962 HD22 ' HB2' ' A' ' 15' ' ' ALA . 26.2 mt -65.48 -36.16 83.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.33 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.528 HG21 HG21 ' A' ' 91' ' ' VAL . 6.0 p -65.96 -36.11 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -55.73 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -62.55 -44.83 97.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -96.37 116.65 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.15 -22.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -43.33 63.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.08 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CG ' HD11 ' A' ' 69' ' ' LEU . 36.4 m-85 -52.12 -47.39 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -49.39 -55.31 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.01 -39.74 86.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -62.52 -35.59 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.81 -58.23 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -63.2 -22.4 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.81 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' HD23 ' A' ' 18' ' ' LEU . 2.8 p90 -81.17 -16.11 53.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.29 96.69 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -90.28 -31.04 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.14 -22.85 62.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 50.97 13.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.45 -16.48 56.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 13.96 25.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -167.63 173.13 8.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.595 HG23 ' CB ' ' A' ' 31' ' ' GLU . 3.5 mp -138.4 133.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 30' ' ' LYS . 14.4 t -100.41 174.8 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' ILE . 77.0 p -57.44 -27.81 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.225 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.643 ' H ' HG23 ' A' ' 28' ' ' THR . 45.4 mttp -63.2 -52.8 60.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -58.47 -67.16 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -49.96 -52.49 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.87 -55.37 9.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.454 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.7 m -63.91 -28.27 69.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.07 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLU . 76.2 t -70.28 -45.64 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 ptp -73.1 -31.2 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.35 -29.62 42.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 16.6 p -71.1 -8.73 55.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.788 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -87.38 10.14 18.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 10.71 57.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -106.95 156.41 18.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -118.62 66.92 7.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 157.85 58.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 46' ' ' ALA . 12.0 t -111.81 178.42 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.48 -42.1 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' H ' HG23 ' A' ' 44' ' ' THR . . . -50.43 -46.18 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -58.61 -46.69 86.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.58 -60.77 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -53.06 -37.35 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.06 -60.19 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.8 mmm -52.15 -55.09 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 32' ' ' LEU . 28.7 mm -51.68 -53.78 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.19 -26.87 66.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 -25.88 37.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 71' ' ' MET . 5.6 m -111.38 22.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.58 96.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -17.07 64.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -37.43 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 50.97 2.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -95.92 -20.86 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.22 19.32 9.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.7 p -150.88 168.64 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.84 133.18 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 77.7 m-20 -95.95 175.85 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.2 t80 -64.96 -53.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.99 -51.71 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 63' ' ' ILE . 26.9 t80 -55.5 -52.6 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.29 -36.49 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB2' HG12 ' A' ' 55' ' ' VAL . 13.4 tmm? -55.6 -51.92 65.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -53.23 52.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 -29.89 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.8 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -85.0 -10.53 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.9 tpt -60.74 -19.23 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -51.81 -29.9 21.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.71 109.82 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -66.25 -24.82 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.53 103.74 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -92.76 10.22 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 85' ' ' ILE . 18.0 tt0 -50.95 -46.07 60.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.29 -59.12 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -56.04 -47.07 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' GLU . 83.5 mt -51.22 -71.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -48.56 -39.87 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.0 tp10 -57.29 -39.94 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.95 -59.52 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -59.37 -22.04 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -79.7 -43.44 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -73.85 -24.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.703 ' CE1' HG11 ' A' ' 163' ' ' VAL . 21.0 m-85 -73.61 -38.86 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.56 84.22 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -59.81 -31.35 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -20.15 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.67 61.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.74 -20.4 63.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.45 9.95 30.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -152.1 135.87 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.788 HG21 HD13 ' A' ' 105' ' ' LEU . 75.4 mt -93.12 134.05 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -110.25 168.96 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.25 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.61 -71.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.4 pt-20 -57.04 -41.52 78.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 100' ' ' ILE . 5.3 tp -57.32 -59.01 5.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 121' ' ' VAL . 16.5 mmm-85 -54.26 -43.21 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.12 -31.04 72.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.2 t -70.99 -45.22 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.72 -19.84 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.6 m -86.29 -49.01 8.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 7.4 m120 -52.23 -34.65 46.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.577 ' CD2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.63 -30.19 59.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.82 20.55 7.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -88.96 96.35 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.88 138.17 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.1 pp -146.8 162.3 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 t -109.98 167.44 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -51.92 -40.3 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.66 -38.9 92.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.99 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.803 HG21 ' HD3' ' A' ' 106' ' ' ARG . 62.0 t -57.08 -42.0 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -62.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.33 -34.18 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ttt -53.9 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.93 -39.05 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.77 -29.36 68.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -90.3 -44.17 9.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.72 -12.79 61.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -110.67 109.38 19.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pt -72.6 -31.12 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -20.14 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.67 38.54 77.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.14 13.27 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.97 13.77 72.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -131.88 129.91 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.34 110.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.75 162.86 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 142' ' ' VAL . 81.6 t80 -65.3 -45.79 82.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.56 -49.4 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.14 -31.02 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.85 -46.38 67.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.3 m -71.06 -29.2 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.5 -21.78 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.715 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.8 tmm? -62.39 -22.36 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ptm -101.49 -3.9 27.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 142' ' ' VAL . 43.0 p -91.96 51.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.94 51.04 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -102.9 22.02 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -46.59 -35.11 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.2 p -104.75 -29.0 10.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -59.85 -177.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.56 33.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.99 -24.7 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 p -49.39 -67.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.18 -55.39 15.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.411 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.4 m95 -53.22 -34.8 58.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 161' ' ' LEU . 1.9 mmt-85 -66.48 -51.34 57.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -56.14 -54.21 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.476 HD11 HG11 ' A' ' 108' ' ' VAL . 5.4 tt -59.83 -44.75 94.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 159' ' ' ILE . 19.7 ttmm -61.08 -39.87 91.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -64.81 -46.87 80.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -59.36 -45.02 92.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.788 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.4 m -74.21 -25.11 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.27 -40.81 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -86.12 -28.03 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 162' ' ' ALA . . . -51.26 -30.72 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -130.15 99.65 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -85.03 -21.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -45.99 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 161' ' ' LEU . 42.4 mt-10 -50.98 -48.25 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' A' ' 69' ' ' LEU . 5.3 m-85 -65.94 -44.7 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -51.13 -49.75 60.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -43.6 74.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.16 -37.3 61.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' HD11 ' A' ' 27' ' ' ILE . 4.1 t80 -81.9 -41.93 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 t -52.14 -49.98 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 162' ' ' ALA . 1.9 pp -70.58 -24.97 62.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.79 127.67 33.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.99 -22.04 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -20.21 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 50.3 69.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.15 -17.6 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 29.85 3.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 27' ' ' ILE . 4.5 t -163.21 161.53 24.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 111.18 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' C ' ' A' ' 26' ' ' THR . 1.6 mm -120.46 107.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -84.1 159.66 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.92 -36.61 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -53.8 -55.47 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.2 mt-10 -56.32 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -47.03 -46.59 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.92 -64.19 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.509 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.4 m -54.52 -32.31 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 31' ' ' GLU . 50.4 t -62.37 -55.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 2.7 mmt -62.13 -36.98 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -82.66 0.42 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.769 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -105.28 20.47 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.85 18.54 80.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.14 162.29 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -113.48 74.75 2.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.694 0.759 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.52 17.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -109.01 172.0 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.15 -41.29 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.69 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.22 -50.19 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 HD23 ' A' ' 32' ' ' LEU . 17.6 mt -61.9 -57.17 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -52.78 -48.09 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.64 -61.0 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.531 ' HG2' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -48.32 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 29' ' ' THR . 50.3 mm -51.02 -47.24 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -62.32 -24.68 67.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.08 -23.01 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 52' ' ' ILE . 20.6 m -114.51 23.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -149.43 100.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.62 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -36.77 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.24 42.78 11.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.563 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -91.42 -21.19 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 9.64 48.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.86 145.25 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 68' ' ' PHE . 3.1 mt -85.2 136.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' O ' HG22 ' A' ' 63' ' ' ILE . 2.3 t0 -80.34 -169.79 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -71.53 -60.87 2.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.61 -30.7 22.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.525 ' HB3' HG23 ' A' ' 63' ' ' ILE . 3.0 mt-10 -48.94 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 39.6 t80 -45.94 -43.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.808 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.3 mm? -55.1 -49.8 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 66' ' ' PRO . 15.7 p -60.44 -46.36 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -53.64 -55.72 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -64.04 -50.13 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -22.34 44.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -56.65 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -74.03 -17.42 60.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.2 ttp -57.02 -24.83 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.58 -31.04 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.43 100.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -51.93 -39.65 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.5 109.11 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -93.17 10.91 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.04 -41.77 94.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -55.43 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.82 -48.4 81.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.496 HG23 ' HE1' ' A' ' 141' ' ' PHE . 50.2 mt -52.51 -69.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -47.04 -51.23 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.655 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -52.36 -36.33 53.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.6 -60.4 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -20.03 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -81.8 -39.2 24.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.3 m -79.03 -24.16 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CE1' HG11 ' A' ' 163' ' ' VAL . 19.1 m-85 -71.21 -33.08 69.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.66 90.48 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -23.31 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -23.14 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.94 51.03 25.91 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -90.53 -11.86 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.99 0.8 30.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -147.64 167.5 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.634 HG21 HD13 ' A' ' 105' ' ' LEU . 96.5 mt -115.71 123.13 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -95.74 159.5 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -52.56 -29.64 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.81 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.2 mt-10 -59.33 -42.91 92.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.634 HD13 HG21 ' A' ' 100' ' ' ILE . 7.5 tp -66.73 -63.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.585 ' CB ' HG21 ' A' ' 121' ' ' VAL . 6.6 ptm180 -49.79 -34.0 18.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -76.07 -36.62 58.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 104' ' ' GLU . 4.1 t -64.18 -39.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtm -82.48 -38.58 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -67.15 -44.37 79.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -56.87 -31.14 64.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.18 -16.34 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.98 -5.27 30.55 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.09 101.06 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -66.08 121.27 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -127.54 160.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.569 HG22 ' OE2' ' A' ' 120' ' ' GLU . 7.3 t -110.13 163.76 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.51 -31.91 25.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.55 -43.77 96.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -59.28 -65.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.1 t -51.7 -47.98 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.68 -33.33 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -68.97 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.0 ptm -51.05 -42.08 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.411 HD11 HD22 ' A' ' 105' ' ' LEU . 22.2 mm -68.04 -40.53 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -63.77 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.3 -37.37 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -11.13 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -119.4 104.95 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.31 -43.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -20.38 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.11 36.41 92.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.42 10.88 20.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 13.94 76.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -133.46 130.01 38.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -93.08 114.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -90.05 164.74 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.516 ' O ' HG13 ' A' ' 142' ' ' VAL . 89.5 t80 -68.86 -46.02 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -48.82 -44.72 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -85.16 -33.18 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.7 t80 -51.61 -46.4 63.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 146' ' ' THR . 2.9 m -68.08 -29.36 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.51 -28.33 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.712 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 7.4 tmm? -65.44 -24.38 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.9 tpt -96.78 4.79 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 142' ' ' VAL . 34.8 p -107.68 50.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.56 51.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.7 21.83 8.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.7 t -46.38 -47.8 18.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.4 p -95.84 -27.95 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.11 33.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.3 -24.83 5.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 m -49.2 -69.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.02 -56.17 10.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -52.8 -34.88 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -51.72 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 92' ' ' PHE . 4.1 tt -55.58 -43.82 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 163' ' ' VAL . 13.0 ttpt -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.717 HD22 ' HB2' ' A' ' 15' ' ' ALA . 7.1 mt -71.36 -35.24 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -74.1 -42.01 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.769 HG12 ' HG ' ' A' ' 39' ' ' LEU . 21.1 m -72.55 -34.07 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -83.59 -30.41 27.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -81.77 -50.4 4.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -56.66 -32.33 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -109.11 110.17 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.22 -23.3 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.14 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 161' ' ' LEU . 27.6 mt-10 -51.89 -52.68 48.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.477 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.6 m-85 -63.19 -44.39 95.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -50.73 -50.79 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.56 -51.09 60.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 72' ' ' MET . . . -49.64 -33.6 15.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -90.93 -26.06 19.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 t -63.78 -50.46 68.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pt? -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.41 138.97 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -83.95 -55.49 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -94.15 -21.06 19.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.74 49.63 67.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -79.4 -4.53 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.0 17.33 9.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.51 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -170.23 165.06 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.623 HG22 HD23 ' A' ' 32' ' ' LEU . 7.5 mt -131.63 127.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -90.03 161.96 15.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.482 ' HA ' HD11 ' A' ' 32' ' ' LEU . 7.8 p -48.32 -34.84 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.2 -58.14 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.6 mt-10 -51.31 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -52.56 -51.35 60.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.27 -55.29 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -65.82 -34.38 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 31' ' ' GLU . 77.1 t -60.06 -49.21 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -69.32 -47.82 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.8 -23.54 67.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -19.05 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.677 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -93.57 19.94 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -7.04 82.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.33 155.43 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -119.65 67.59 10.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.09 24.79 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -109.94 -179.3 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.38 -44.51 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.01 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.12 -59.19 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.8 -54.66 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.95 -38.48 62.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.25 -58.99 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.52 -59.03 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.735 HD11 ' CD2' ' A' ' 32' ' ' LEU . 33.5 mm -50.5 -60.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -57.32 -22.0 39.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -84.63 -25.3 28.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.7 m -119.68 25.96 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -134.88 105.18 6.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.79 -14.67 31.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -40.79 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 42.81 4.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.35 6.38 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.462 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.96 31.08 71.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -143.22 162.5 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 32' ' ' LEU . 5.4 mt -102.56 133.13 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.2 -172.2 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -71.16 -60.57 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.72 -29.93 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -51.57 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -48.92 -57.16 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' PHE . 3.6 mt -50.19 -43.5 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.8 m -59.14 -47.6 84.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -58.96 -48.0 83.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mtm -61.15 -59.44 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.24 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -56.83 -23.86 46.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -69.48 -11.26 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -27.27 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.13 -30.65 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -77.14 150.06 35.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.86 -45.85 3.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -64.19 132.6 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -99.91 -22.25 15.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.45 -38.76 45.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -56.49 -57.94 10.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.35 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.53 HG21 HG12 ' A' ' 142' ' ' VAL . 46.0 mm -49.5 -70.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -45.58 -46.07 14.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 91' ' ' VAL . 50.7 tp10 -53.17 -41.84 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.41 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.39 -21.52 36.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -78.87 -44.54 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.0 m -74.04 -23.7 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.1 m-85 -74.2 -38.89 63.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.58 90.76 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.94 -48.34 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -20.74 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.81 34.67 90.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -69.95 -19.94 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.96 16.17 11.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -154.51 133.18 12.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.737 HG21 HD13 ' A' ' 105' ' ' LEU . 81.3 mt -97.57 115.68 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -93.65 164.07 13.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.99 -30.21 33.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.81 -56.97 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.6 mt-10 -58.31 -42.14 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -67.11 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -29.75 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.3 -43.6 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.0 t -61.44 -42.09 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtm -75.22 -46.61 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 m -62.11 -29.07 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.68 -20.48 56.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.39 -16.65 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.0 tp10 -57.47 109.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 112.68 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 120' ' ' GLU . 3.1 mp -112.34 155.21 24.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.7 p -107.18 161.51 14.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -51.5 -36.38 44.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.18 -45.83 91.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.517 ' CG ' HD23 ' A' ' 116' ' ' LEU . 11.9 tp10 -52.75 -68.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.55 -38.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.47 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -56.03 -35.49 66.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.471 ' HE3' ' CE2' ' A' ' 156' ' ' TRP . 17.3 mmm -53.52 -58.82 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 105' ' ' LEU . 28.3 mm -67.12 -32.88 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -64.5 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -86.72 -41.88 13.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.96 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -97.2 98.97 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -13.47 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.92 -20.63 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.82 48.53 75.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -100.19 -7.9 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.02 8.57 61.56 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.75 132.71 29.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -90.22 132.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.48 166.51 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG13 ' A' ' 142' ' ' VAL . 37.6 t80 -64.77 -43.8 92.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 142' ' ' VAL . 11.9 mt-10 -49.02 -53.52 19.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.16 -30.13 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 62.4 t80 -52.76 -48.74 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 HG21 ' A' ' 85' ' ' ILE . 3.2 m -65.8 -25.41 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.91 -22.08 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.442 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.6 mpp? -64.36 -14.47 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.5 ttp -110.38 10.89 23.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.3 p -120.38 47.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.66 51.12 1.44 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -95.42 21.15 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.7 p -49.24 -49.97 40.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.9 p -82.93 -14.22 54.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.577 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.63 -177.37 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.75 33.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.91 -24.4 6.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.9 m -52.43 -67.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.58 -43.8 53.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' TRP . . . . . 0.701 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 97.1 m95 -64.25 -29.96 71.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -71.74 -52.47 17.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.19 -48.54 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.3 tt -63.11 -43.94 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.482 ' N ' HG23 ' A' ' 159' ' ' ILE . 11.5 tmtt? -66.23 -38.75 88.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 11' ' ' GLU . 7.1 mt -64.6 -43.07 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.825 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -66.15 -53.53 36.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' VAL . . . . . 0.677 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -59.62 -34.39 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -77.09 -38.3 52.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.52 97.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.436 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -53.36 -27.55 24.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.735 0.302 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -90.22 72.28 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.47 -21.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.15 52.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -53.42 -47.88 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.0 -45.36 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -51.22 -51.21 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.6 tp10 -72.5 -39.24 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.48 -38.35 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -85.99 -42.99 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 p -51.24 -45.76 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.2 pp -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -70.02 -69.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -78.72 114.91 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -89.73 -24.24 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -20.05 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 48.49 65.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -98.04 -20.5 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 27.6 5.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -170.18 165.04 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.487 HG22 HD23 ' A' ' 32' ' ' LEU . 3.5 mp -132.34 127.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -98.35 168.0 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.404 ' HA ' HD21 ' A' ' 32' ' ' LEU . 7.0 p -51.14 -32.16 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -54.95 40.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -54.53 -68.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -49.4 -39.76 33.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.46 -56.16 24.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 -31.68 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.3 t -63.75 -41.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.618 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 73.9 mtm -79.77 -36.56 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -27.51 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -78.52 -3.26 42.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.782 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -97.8 20.0 12.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 18.24 75.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -110.51 165.0 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -119.07 71.53 11.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.708 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.11 41.66 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.753 2.302 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -110.09 170.11 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.19 -36.93 53.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -56.78 -46.76 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 32' ' ' LEU . 13.8 mt -62.59 -60.47 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -51.76 -40.23 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -60.91 -58.35 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtt -51.21 -55.63 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.808 HD11 HD21 ' A' ' 32' ' ' LEU . 47.9 mm -50.56 -58.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.27 -21.75 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -83.52 -25.35 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.574 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -112.31 24.79 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.51 117.82 32.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.63 -16.88 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -40.03 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.73 50.33 2.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.36 -20.19 13.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 30.16 9.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 p -141.74 154.67 45.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.151 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 55' ' ' VAL . 4.4 mt -98.58 122.45 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -173.04 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.99 -59.78 4.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.81 -31.58 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -51.2 -64.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -51.3 -49.82 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -47.66 50.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.6 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttp -57.57 -57.75 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.85 -29.43 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.12 -26.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -55.0 -26.09 34.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -36.67 49.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.3 tpp -52.5 -29.58 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -37.49 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -64.0 147.39 52.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -54.49 -34.31 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -153.26 173.73 15.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -92.17 6.21 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.68 -46.43 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -49.92 -56.41 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.33 -48.26 79.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.427 HD11 ' CE ' ' A' ' 145' ' ' MET . 91.6 mt -51.35 -70.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -48.64 -40.16 26.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.647 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 mm-40 -57.65 -39.5 77.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.92 -60.55 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.27 -22.54 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -78.96 -41.88 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 87' ' ' GLU . 30.1 m -76.09 -23.47 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-30 -72.4 -47.79 46.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.82 90.23 2.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -55.99 -34.04 65.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.73 -20.42 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.78 28.08 67.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -69.91 -15.99 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.2 6.98 27.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -148.65 149.63 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 105' ' ' LEU . 86.3 mt -105.73 123.98 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -94.7 161.96 13.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.07 -37.83 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.6 -59.57 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -51.97 -60.35 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 4.6 tp -50.64 -51.95 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.687 ' O ' HG23 ' A' ' 110' ' ' THR . 15.4 mtm180 -51.17 -55.72 16.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -53.93 -39.29 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.8 t -62.71 -42.85 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -71.28 -48.83 48.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.1 p -61.67 -46.86 87.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -50.29 -55.99 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -59.7 -21.07 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.55 27.46 10.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 99.75 12.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -51.89 117.14 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 145.67 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.4 p -104.15 166.15 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -51.78 -42.94 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.06 -44.49 96.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -51.8 -70.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.653 HG21 ' HG2' ' A' ' 106' ' ' ARG . 85.8 t -53.45 -45.25 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.91 -54.78 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.27 -42.89 96.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.569 ' CE ' HD21 ' A' ' 105' ' ' LEU . 2.9 ttt -51.76 -56.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.6 mm -65.36 -34.39 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -29.28 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -89.66 -39.3 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.95 -18.52 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -111.94 102.52 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.71 -43.61 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -20.45 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.75 93.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.92 9.07 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.93 79.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.44 133.29 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.12 118.07 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -91.67 162.89 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.622 ' O ' HG13 ' A' ' 142' ' ' VAL . 79.4 t80 -65.63 -46.0 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.496 ' O ' HG22 ' A' ' 142' ' ' VAL . 24.4 tt0 -48.96 -48.46 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.09 -27.75 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 43.6 t80 -58.33 -38.86 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.0 m -72.58 -24.95 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.68 -19.85 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.72 -17.59 49.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.427 ' CE ' HD11 ' A' ' 85' ' ' ILE . 1.5 ptm -110.36 11.12 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.2 p -109.74 28.82 8.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.51 51.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.13 21.61 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 m -48.48 -50.19 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -15.72 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.609 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -83.51 -177.05 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.3 33.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.58 -26.08 5.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.8 m -49.45 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.541 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.64 -54.42 21.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.2 m95 -53.62 -33.84 56.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -54.15 21.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.559 ' HG2' HD22 ' A' ' 18' ' ' LEU . 18.1 tttt -54.36 -54.71 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.1 tt -59.04 -43.89 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.8 ttmt -61.71 -41.01 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.719 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.8 mt -64.52 -44.09 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.68 -46.12 91.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.782 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.7 m -73.98 -23.91 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -78.21 -40.66 36.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -83.76 -30.46 29.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.94 -30.16 23.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.713 0.292 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -95.42 176.72 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -100.32 -27.91 13.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.5 -21.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.46 -47.88 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' ' 161' ' ' LEU . 2.4 tt0 -51.53 -53.89 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.32 -51.45 68.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -50.36 -44.12 54.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.36 -45.73 82.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.059 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -59.24 -32.46 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -75.47 -61.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.67 -18.05 57.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.56 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.8 t80 -87.62 -40.52 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.95 93.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -90.43 -19.32 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -20.49 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.75 50.36 54.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.2 -20.53 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.48 21.07 25.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -149.74 164.55 34.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 32' ' ' LEU . 11.0 mt -131.49 136.15 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -100.13 165.76 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.498 HG23 HG13 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -53.3 -41.08 65.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.1 mt-10 -55.21 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -50.16 -45.3 53.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -64.55 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -55.14 -38.84 68.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.143 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.8 t -55.98 -45.59 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 19.0 mtt -68.93 -44.59 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -64.53 -24.03 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.69 ' HB3' HD12 ' A' ' 112' ' ' LEU . 68.3 m -60.22 -20.05 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -95.87 20.04 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 -4.31 79.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.523 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 159.1 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.731 0.301 . . . . 0.0 110.937 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.0 72.16 5.91 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 129.51 17.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -110.54 -179.75 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.65 -32.92 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -45.12 77.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.06 -54.71 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 32' ' ' LEU . 12.8 mt -60.02 -56.13 25.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.54 -40.29 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.14 -59.57 5.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 0.4 OUTLIER -51.44 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 32' ' ' LEU . 48.0 mm -51.09 -58.48 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.59 -22.24 43.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -86.08 -24.74 26.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 63' ' ' ILE . 6.0 m -118.97 27.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -139.5 104.9 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.83 -14.89 30.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.91 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.77 44.69 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -109.76 6.01 23.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.528 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.82 30.44 69.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.0 p -139.57 156.04 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 HG21 ' A' ' 55' ' ' VAL . 2.6 mt -102.62 117.36 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.91 179.16 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.634 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.9 t80 -66.88 -56.64 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -32.04 19.26 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.8 -65.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.29 -50.14 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -50.6 -41.17 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.3 m -68.47 -44.3 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -55.9 -44.49 78.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 mtp -76.92 -52.5 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.67 -28.22 8.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -54.08 -26.18 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -18.33 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.9 ttp -50.53 -30.96 14.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -52.34 -29.39 23.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.23 117.98 22.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -74.06 -9.81 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.81 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 p -99.34 -21.32 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.06 -40.04 57.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.47 -60.16 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -55.65 -55.09 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 141' ' ' PHE . 80.3 mt -49.89 -70.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -46.38 21.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.7 mm-40 -53.31 -39.15 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.17 -61.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.18 -20.03 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -81.48 -40.5 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.7 m -77.97 -23.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.7 m-85 -76.06 -26.77 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.45 90.67 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.26 -20.36 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.24 35.43 90.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -69.8 -20.2 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.31 15.69 16.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.424 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -154.09 129.82 10.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.766 HG21 HD13 ' A' ' 105' ' ' LEU . 77.1 mt -90.24 116.91 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -95.3 170.17 9.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.57 -33.31 71.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.63 -63.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.1 mt-10 -51.08 -58.1 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 100' ' ' ILE . 3.9 tp -52.03 -47.76 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -52.1 -51.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.65 -34.9 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 159' ' ' ILE . 91.4 t -62.15 -46.49 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.6 mmt -79.45 -23.98 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -76.01 -43.91 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -43.63 63.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 38' ' ' SER . 0.4 OUTLIER -64.1 -28.6 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.89 -19.59 27.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -54.92 112.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -68.37 115.8 8.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -118.49 150.3 39.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.59 164.08 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.64 -37.67 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.88 -40.54 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.82 -69.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.51 -46.22 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.23 -31.11 69.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 41.4 tt0 -73.86 -62.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.489 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.3 ptm -51.05 -38.18 49.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.451 HD11 HD22 ' A' ' 105' ' ' LEU . 28.1 mm -72.13 -50.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -56.95 -28.7 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -90.24 -33.49 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.74 -1.6 51.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -119.66 106.74 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 140' ' ' GLU . 28.7 mt -64.03 -45.45 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -20.51 58.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.39 37.92 86.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.29 12.19 21.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.77 11.83 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.74 129.65 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.44 134.3 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -110.28 -179.33 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.26 -58.03 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -50.64 -32.6 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 130' ' ' ILE . 18.7 mt-10 -85.52 -30.57 23.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.593 ' HE1' HG23 ' A' ' 85' ' ' ILE . 49.9 t80 -64.34 -42.81 96.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.71 -26.03 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.9 -19.99 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -62.43 -16.67 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.7 ttm -110.8 10.88 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 p -113.38 50.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.77 51.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.18 21.2 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 11.0 p -49.19 -50.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.2 p -94.17 21.04 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -109.62 -177.63 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.67 32.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.73 -25.11 6.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -66.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.795 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.17 -52.52 31.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.416 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.0 m95 -55.55 -34.74 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -49.69 63.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -55.45 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 108' ' ' VAL . 5.3 tt -57.99 -43.75 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 159' ' ' ILE . 22.8 ttmt -64.58 -36.52 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.059 HD22 ' HB2' ' A' ' 15' ' ' ALA . 2.7 mt -66.26 -43.99 84.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.88 -49.93 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.661 HG12 ' CD1' ' A' ' 39' ' ' LEU . 21.8 m -64.97 -32.56 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -71.94 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -61.41 -29.66 72.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.07 -37.69 47.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -75.85 138.8 41.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.563 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -106.05 164.04 12.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 25.2 mttp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.8 mt -78.57 -21.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -42.37 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -52.03 -56.03 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CG ' HD11 ' A' ' 69' ' ' LEU . 26.9 m-85 -60.51 -42.66 96.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -51.38 -53.76 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.03 -45.9 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.065 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -54.39 -37.64 65.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -74.78 -46.18 38.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -52.96 -49.94 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 15' ' ' ALA . 2.7 pp -68.87 -13.33 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -87.14 120.15 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.93 -21.23 22.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.7 -20.39 22.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.07 46.79 76.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.82 -20.01 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.35 23.74 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -168.89 163.78 11.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.604 HG23 ' CB ' ' A' ' 31' ' ' GLU . 4.7 mt -132.32 131.5 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 30' ' ' LYS . 15.3 t -97.11 167.92 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.438 ' HA ' HD21 ' A' ' 32' ' ' LEU . 8.0 p -50.43 -32.03 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' H ' HG23 ' A' ' 28' ' ' THR . 56.3 tttt -60.73 -58.07 10.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' CB ' HG23 ' A' ' 27' ' ' ILE . 3.2 mt-10 -53.48 -67.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -50.33 -36.33 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.33 -65.34 3.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.452 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 t -60.05 -41.01 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 112' ' ' LEU . 75.8 t -58.2 -46.72 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.4 ttp -68.1 -36.25 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.42 -23.21 60.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.0 m -60.95 -17.81 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HG ' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -93.37 20.23 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.25 82.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -92.51 154.51 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.74 73.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.91 18.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 p -111.08 179.37 4.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -52.21 -35.94 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.72 74.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.87 -57.62 11.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 21.6 mt -57.25 -50.16 73.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.33 -46.22 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.3 -60.18 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.42 -60.3 2.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 32' ' ' LEU . 39.2 mm -51.91 -55.49 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.89 -25.25 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -89.59 -20.27 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.598 HG21 HD12 ' A' ' 63' ' ' ILE . 15.4 m -118.79 30.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -144.17 106.31 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.28 29.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -40.81 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.15 47.27 3.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.18 11.99 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 60.52 30.66 72.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -150.73 163.46 38.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 55' ' ' VAL . 13.5 tt -116.7 143.01 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -91.32 -176.1 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.82 -58.52 5.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.734 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.6 Cg_endo -69.77 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HA ' HD11 ' A' ' 63' ' ' ILE . 4.7 t80 -62.75 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.93 -27.05 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -78.69 -49.75 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.402 ' CB ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.59 -19.89 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 ttp -88.98 -56.62 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.6 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -54.38 -28.86 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.54 -24.6 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -25.94 40.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -52.05 -30.06 23.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.88 141.13 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -100.42 9.99 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -108.83 112.51 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.4 m -97.85 -19.21 18.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -54.73 -34.56 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -57.89 -62.0 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.71 -46.47 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' HE1' ' A' ' 141' ' ' PHE . 28.4 mm -52.41 -71.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -48.89 -45.23 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.65 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.4 mm-40 -54.66 -36.71 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.17 -60.79 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -20.68 58.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -80.79 -41.21 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.6 m -76.37 -25.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.5 m-85 -73.82 -32.85 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -87.93 90.47 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.12 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.12 -20.55 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.9 36.02 90.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -69.88 -20.12 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.04 13.66 20.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -153.67 129.6 10.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.733 HG21 HD13 ' A' ' 105' ' ' LEU . 98.0 mt -89.97 123.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 t -101.05 172.86 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -28.13 68.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -57.57 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 108' ' ' VAL . 37.0 mt-10 -58.47 -44.58 89.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 100' ' ' ILE . 2.6 tp -64.13 -63.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.73 -31.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -73.85 -39.47 63.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.0 t -65.36 -41.33 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -48.96 27.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.6 m -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -55.94 -34.24 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.577 HD11 HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -62.99 -21.4 66.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.2 -18.35 28.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.44 135.56 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -92.67 128.4 38.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.6 OUTLIER -114.61 164.81 13.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -110.03 162.15 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -51.9 -37.65 53.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -62.13 -37.68 86.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.04 -69.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.15 -46.31 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.14 -33.83 72.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.53 -62.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 11.5 ptm -51.58 -37.12 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 105' ' ' LEU . 21.8 mm -71.99 -42.9 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -63.34 -30.6 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.42 -30.59 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.92 -5.63 59.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -120.13 107.26 12.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.7 mt -62.74 -46.56 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -20.5 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.57 90.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.5 11.04 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.07 86.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -127.33 129.79 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.77 132.19 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -110.44 -177.3 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.22 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -50.78 -31.47 17.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 130' ' ' ILE . 17.9 mt-10 -87.5 -31.62 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 85' ' ' ILE . 43.2 t80 -62.73 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 m -67.11 -25.37 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.65 -20.89 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -61.03 -17.74 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.7 ttp -108.76 10.48 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.4 p -111.79 49.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.45 50.9 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.86 21.31 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.2 t -49.53 -49.75 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.7 p -85.16 -11.28 55.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -77.88 -177.72 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -89.46 33.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.16 -26.15 4.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.434 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 m -49.97 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.682 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.77 -51.43 39.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.47 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 90.2 m95 -57.6 -29.84 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -48.44 55.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.6 tt -64.58 -43.95 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 159' ' ' ILE . 31.2 ttpt -61.86 -38.39 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.065 HD23 ' HB2' ' A' ' 15' ' ' ALA . 1.1 mp -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' HG ' ' A' ' 39' ' ' LEU . 18.7 m -74.4 -30.64 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -74.51 -42.05 59.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.86 -32.59 36.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -50.71 -39.61 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -105.84 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.25 52.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.786 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.59 -23.2 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -45.39 62.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.99 -68.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.31 -42.52 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -51.49 -46.67 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CD ' HD23 ' A' ' 18' ' ' LEU . 2.8 tm-20 -71.91 -38.92 69.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.058 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -56.1 -40.09 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.67 -43.53 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 t -51.11 -47.58 61.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -70.09 -38.52 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -110.24 95.04 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -73.35 -25.15 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.91 -20.15 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.73 50.0 55.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.92 -20.25 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 29.67 6.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -169.44 162.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 32' ' ' LEU . 6.9 mt -130.66 122.27 52.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -96.39 168.95 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.499 HG23 HG13 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -54.25 -38.31 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -58.6 -46.12 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 tt0 -58.63 -68.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -51.46 -43.3 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.05 -57.2 15.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 m -63.18 -31.49 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.9 t -60.66 -53.89 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.576 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 21.2 ptp -72.84 -29.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.36 -29.35 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -81.83 0.31 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.682 ' CD2' HG12 ' A' ' 163' ' ' VAL . 1.3 mp -94.17 17.49 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.08 17.21 79.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.54 170.7 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -116.55 77.24 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 140.07 42.04 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.745 2.296 . . . . 0.0 112.384 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -110.37 174.05 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.65 -39.62 92.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.61 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.8 -50.5 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD22 HD12 ' A' ' 32' ' ' LEU . 13.1 mt -61.75 -58.22 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.22 -39.38 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -61.66 -58.87 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.487 ' CE ' ' HB2' ' A' ' 168' ' ' ALA . 3.2 tpt -50.99 -54.78 21.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 32' ' ' LEU . 39.0 mm -51.31 -58.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.76 -20.69 61.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.41 -23.71 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.3 22.71 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -135.22 100.76 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -18.31 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.74 16.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.54 47.52 21.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -92.92 -20.89 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.94 11.63 36.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.16 150.83 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' HD13 ' A' ' 52' ' ' ILE . 2.0 mt -93.36 135.13 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.79 179.07 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.62 -56.82 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.3 Cg_endo -69.82 -30.78 21.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.43 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -50.61 -50.78 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -41.04 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -66.11 -47.59 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.69 -50.82 67.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttp -68.08 -50.47 54.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.53 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -53.15 -28.54 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -58.07 -27.56 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.55 -31.06 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -32.36 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.39 132.64 40.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 m -88.01 -39.74 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -58.06 109.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -97.0 7.36 46.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.5 -40.89 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -59.89 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -53.48 56.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.72 -70.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.25 -43.69 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.1 tm-20 -55.07 -40.2 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -64.3 -60.88 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -59.64 -20.89 59.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -80.38 -40.15 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.1 m -78.02 -23.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.2 m-85 -79.18 -21.15 46.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.98 91.24 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -48.7 -63.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.36 -20.33 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.03 36.4 92.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.99 -17.35 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.15 12.93 16.61 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -153.34 130.72 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 105' ' ' LEU . 96.1 mt -89.61 122.56 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -94.92 164.36 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.64 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.4 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.4 mt-10 -54.11 -62.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.677 HD13 HG21 ' A' ' 100' ' ' ILE . 4.4 tp -51.97 -39.71 59.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.714 ' CD ' HG21 ' A' ' 121' ' ' VAL . 5.3 mmm180 -56.4 -56.12 25.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -65.73 -25.42 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.9 t -66.73 -47.54 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mtt -86.29 -19.6 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.3 m -81.87 -46.38 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.072 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -56.21 -32.65 64.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -21.19 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 -18.2 28.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.01 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -62.35 113.12 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -121.0 158.51 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.19 164.54 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -51.36 -32.84 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.12 -40.06 95.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.61 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.714 HG21 ' CD ' ' A' ' 106' ' ' ARG . 98.7 t -53.0 -47.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.16 -33.84 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.54 -62.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.493 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 8.7 ptm -52.41 -42.15 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.14 -35.73 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -68.01 -33.08 73.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -87.28 -30.42 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.19 -25.31 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.87 99.55 10.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.0 mt -65.64 -37.02 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -20.79 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.76 40.54 85.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.3 10.92 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.89 77.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.52 134.1 33.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.9 t -92.79 135.79 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -110.12 164.11 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.1 t80 -65.21 -47.06 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 142' ' ' VAL . 45.1 mm-40 -48.32 -51.83 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.15 -30.52 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.2 -48.36 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.2 m -66.8 -22.49 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -62.91 -20.17 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -61.23 -17.45 53.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.8 mtm -109.89 11.06 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.2 p -111.08 32.42 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 109.41 51.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.98 21.04 7.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.6 t -48.76 -50.37 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.8 t -82.55 -15.54 51.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.44 -176.73 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.11 33.44 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.17 -26.11 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 22.8 t -49.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.505 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.22 -55.05 17.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -53.53 -33.12 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ARG . . . . . 0.439 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -68.1 -53.41 25.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.677 ' HG3' HD22 ' A' ' 18' ' ' LEU . 19.8 ttpt -55.12 -54.03 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.57 HD11 HG11 ' A' ' 108' ' ' VAL . 4.8 tt -59.56 -44.19 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 159' ' ' ILE . 27.1 tptp -61.12 -42.78 99.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.058 HD23 ' HB2' ' A' ' 15' ' ' ALA . 6.5 mp -63.86 -41.86 97.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.8 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.682 HG12 ' CD2' ' A' ' 39' ' ' LEU . 20.2 m -74.67 -23.81 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -82.32 -26.39 33.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -90.29 -41.17 5.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.54 -39.46 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.74 151.96 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.487 ' HB2' ' CE ' ' A' ' 51' ' ' MET . . . -85.11 -68.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 28.2 mttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.34 -24.38 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.22 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -51.51 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.18 -42.13 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -51.32 -51.47 54.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.9 tm-20 -72.8 -33.97 66.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.04 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.99 -40.9 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.662 ' CD1' HD11 ' A' ' 27' ' ' ILE . 5.5 t80 -85.61 -42.81 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -50.73 -47.43 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pp -67.14 -28.94 68.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -60.14 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.08 111.42 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -69.52 -25.85 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.14 -20.5 11.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 50.26 61.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -81.26 -6.61 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.88 17.37 9.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -170.23 163.43 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.078 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 16' ' ' PHE . 9.1 mt -125.37 124.19 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -93.74 167.78 11.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' HD21 ' A' ' 32' ' ' LEU . 12.5 p -53.26 -31.8 45.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -59.32 -54.93 41.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -55.18 -68.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -50.15 -36.09 28.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.4 -62.91 5.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -63.63 -37.88 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.8 t -63.24 -37.38 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.676 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.5 ttp -73.22 -46.46 50.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -19.9 62.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.499 ' CB ' HD12 ' A' ' 112' ' ' LEU . 3.6 m -57.58 -22.29 44.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.694 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -94.51 20.49 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.59 18.16 62.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -91.85 162.95 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.65 67.44 49.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.39 21.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -110.74 179.74 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -51.77 -41.72 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.57 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.45 -59.52 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.636 HD22 HD12 ' A' ' 32' ' ' LEU . 23.2 mt -54.72 -54.46 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -55.19 -42.61 73.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.32 -59.96 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mtt -51.82 -57.7 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.753 HD11 HD21 ' A' ' 32' ' ' LEU . 47.0 mm -50.85 -59.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -57.49 -23.56 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -84.38 -23.84 29.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 63' ' ' ILE . 6.1 m -116.69 25.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.93 103.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.47 -20.67 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -110.41 -40.21 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.65 50.61 2.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -103.01 -20.13 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.48 9.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 p -142.86 178.87 7.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 55' ' ' VAL . 4.0 mt -116.41 134.31 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -91.71 -175.51 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -68.28 -59.72 5.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.74 -32.0 19.5 Favored 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.747 2.298 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -51.07 -66.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.49 -49.7 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -39.51 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.7 m -69.51 -46.6 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -54.62 -44.45 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 ttp -75.86 -49.85 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.29 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -55.37 -30.5 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -24.67 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -28.43 26.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -51.84 -30.17 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -58.57 -178.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -97.5 -69.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -102.98 159.6 15.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -99.21 10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.77 -42.07 45.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.19 -56.66 14.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -58.19 -52.92 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 mm -49.36 -71.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -47.63 -45.77 28.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 mt-10 -53.11 -38.66 62.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.48 -61.27 2.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -59.96 -19.91 54.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -81.79 -38.32 25.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 87' ' ' GLU . 29.1 m -80.49 -23.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -72.38 -46.24 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.31 90.59 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -50.06 -57.29 7.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -20.43 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.09 34.18 88.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.77 -19.53 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.26 15.85 11.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -154.59 129.88 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 105' ' ' LEU . 76.9 mt -92.24 120.04 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -95.18 -179.89 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -71.84 -30.0 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.55 -58.88 5.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.5 mt-10 -58.87 -41.13 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 100' ' ' ILE . 10.9 tp -65.74 -63.18 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -51.6 -31.86 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -75.34 -37.91 60.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 104' ' ' GLU . 20.7 t -65.44 -42.14 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.0 mtm -76.74 -43.86 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 m -65.01 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.72 -34.45 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.534 HD11 HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.63 -13.45 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.01 -14.28 31.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.42 157.74 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -116.78 156.61 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -159.08 158.14 32.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -111.23 170.26 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 117' ' ' THR . 83.7 m-20 -51.99 -38.15 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.27 -39.54 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -58.31 -70.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.61 HG11 ' HB1' ' A' ' 102' ' ' ALA . 15.5 t -51.41 -47.69 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.7 -63.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.621 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 13.6 ptm -50.72 -40.22 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -68.02 -47.53 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.64 -34.35 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -29.49 26.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.59 8.98 25.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -120.45 122.97 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.43 -42.63 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.5 -20.46 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.81 50.45 24.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.66 -15.95 16.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.13 4.71 29.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -119.8 129.47 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.81 122.92 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -105.26 -170.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -71.09 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.44 -28.61 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.4 -27.63 21.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -71.44 -42.27 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.37 -26.37 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.53 -21.7 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -63.17 -15.8 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.53 10.84 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.4 p -113.66 48.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.73 50.8 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.42 20.95 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.6 p -49.17 -50.41 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -83.62 -12.35 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.628 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.52 -177.64 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.78 33.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.28 -26.91 5.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 42.3 m -49.58 -65.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.434 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.23 -55.31 16.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -53.19 -35.22 59.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.49 -50.2 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -57.74 -55.25 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 163' ' ' VAL . 4.8 tt -57.69 -42.89 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 159' ' ' ILE . 23.2 mtpp -65.04 -38.98 92.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.04 HD22 ' HB2' ' A' ' 15' ' ' ALA . 36.1 mt -65.57 -39.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -67.85 -50.27 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.2 m -66.0 -29.77 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -73.22 -56.81 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.09 -24.83 74.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -51.23 -31.96 22.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -102.76 177.48 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -99.22 -39.9 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tttp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.18 -22.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.82 -49.7 58.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.17 -49.64 51.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CG ' HD11 ' A' ' 69' ' ' LEU . 9.7 m-85 -61.53 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -51.75 -45.85 63.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.6 mp0 -69.49 -38.5 77.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -57.25 -45.71 83.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.42 -44.08 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -51.46 -49.73 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -74.3 -17.34 60.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -136.43 144.23 44.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -90.6 0.93 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -21.05 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.11 48.89 38.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.415 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.38 -20.09 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.4 15.94 59.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 2.8 mp -134.35 124.32 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 165.91 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -52.8 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -49.14 -31.34 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.3 tt0 -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.29 -29.91 66.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.81 5.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.43 -43.62 93.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 31' ' ' GLU . 68.7 t -54.14 -50.82 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.6 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 8.6 ttp -65.35 -45.0 85.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.47 -23.47 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.791 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -17.76 58.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.694 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -94.27 19.83 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.31 85.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -69.17 174.98 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.42 68.61 13.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.566 0.698 . . . . 0.0 110.823 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.95 61.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -109.99 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.11 -49.33 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.61 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -58.28 -56.16 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.25 -57.46 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -52.17 -41.79 62.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.34 -60.18 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttt -49.9 -56.61 9.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 29' ' ' THR . 35.1 mm -49.37 -62.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -56.02 -23.65 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -83.19 -23.79 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.61 22.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -131.1 96.21 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -16.85 61.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -23.89 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.77 48.05 87.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -82.91 -19.75 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.31 8.12 25.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -147.31 169.45 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 52' ' ' ILE . 1.3 mt -100.97 121.59 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.18 175.44 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.26 -56.54 12.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.83 -31.99 19.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -51.11 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -54.63 -39.42 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -62.99 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.2 m -78.92 -47.1 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -19.9 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -89.93 -56.75 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.64 34.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -54.11 -27.4 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.84 -21.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -51.74 -30.21 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -52.33 -29.82 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -94.64 101.54 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.9 p -64.92 -25.04 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.78 98.29 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -92.84 10.09 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -60.43 -33.36 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.807 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -59.67 -60.91 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.46 -47.82 84.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.426 HG23 ' HE1' ' A' ' 141' ' ' PHE . 71.9 mt -53.63 -70.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -46.98 -49.11 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 91' ' ' VAL . 16.5 tp10 -53.59 -37.23 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.08 -60.92 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -21.52 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -80.06 -41.73 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -76.59 -23.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.571 ' HE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-85 -72.55 -45.71 57.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -71.94 90.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.812 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -50.65 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -22.35 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.97 48.39 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.71 -14.08 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.53 8.76 24.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -152.46 147.56 26.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 105' ' ' LEU . 84.0 mt -103.18 113.24 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -92.27 167.4 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.56 63.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.78 -67.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 108' ' ' VAL . 69.5 mt-10 -51.57 -50.96 59.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 100' ' ' ILE . 5.6 tp -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -55.68 -51.26 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -62.6 -32.19 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.6 t -63.84 -58.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.85 -37.91 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.3 m -66.0 -32.7 74.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -47.98 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.426 HD21 HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.87 -18.94 28.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 152.06 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -113.4 124.71 53.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.5 pp -127.95 165.57 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -110.58 163.81 13.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -51.55 -36.46 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -39.17 93.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -57.39 -68.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.79 -48.09 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.23 -30.12 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 79.1 tt0 -74.33 -61.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.56 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.9 ptm -52.09 -33.69 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 105' ' ' LEU . 23.9 mm -78.07 -43.0 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -62.4 -28.35 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.58 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -103.83 102.91 12.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.13 -34.63 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.59 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.84 37.9 75.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.51 15.35 14.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.4 16.03 68.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -134.59 135.51 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.5 116.31 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -91.06 164.03 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.439 ' O ' HG13 ' A' ' 142' ' ' VAL . 68.4 t80 -65.12 -46.35 81.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 142' ' ' VAL . 25.0 mm-40 -48.36 -51.46 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.83 -29.21 44.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.426 ' HE1' HG23 ' A' ' 85' ' ' ILE . 42.3 t80 -54.18 -47.99 71.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.4 m -65.1 -24.13 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -60.07 -20.43 58.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.74 -16.13 56.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 ttp -110.2 11.09 23.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -114.14 40.99 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.48 50.88 1.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.58 21.07 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -50.33 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.2 t -81.06 -12.88 59.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.612 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -82.99 -177.26 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.54 33.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.85 -25.37 4.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 m -49.89 -67.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.789 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.53 -55.88 12.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.517 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.1 m95 -52.35 -36.96 54.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.62 -49.98 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 18' ' ' LEU . 46.1 mtpt -58.47 -58.64 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 108' ' ' VAL . 4.6 tt -53.55 -42.94 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 159' ' ' ILE . 32.2 ttpt -65.11 -44.36 89.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -62.57 -31.86 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.24 -53.77 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' HG ' ' A' ' 39' ' ' LEU . 16.7 m -62.28 -30.31 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -83.44 -60.12 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.61 53.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.6 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -50.54 -40.04 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.74 137.21 41.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -62.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.09 -23.55 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.21 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -53.41 -56.55 15.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.93 -47.55 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -50.83 -46.3 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -74.69 -37.07 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.076 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.04 -42.83 73.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -84.06 -45.41 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -51.99 -38.13 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 158' ' ' LYS . 1.2 pp -76.3 -27.85 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.3 128.87 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -90.03 -24.18 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.02 -21.06 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 36.99 93.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.419 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 p30 -77.71 -12.73 60.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.12 19.02 8.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.525 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 t -167.89 169.0 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 111.157 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -131.32 122.11 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -89.9 168.12 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.97 -41.91 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.95 -58.35 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 mt-10 -51.66 -64.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 51' ' ' MET . 0.4 OUTLIER -48.9 -40.94 31.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.87 -66.97 2.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.8 t -54.82 -36.61 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' GLU . 53.8 t -59.68 -56.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.63 ' HG3' ' HB1' ' A' ' 166' ' ' ALA . 7.5 ttm -58.49 -41.7 85.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt-85 -69.89 -24.65 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 112' ' ' LEU . 2.3 p -58.1 -20.44 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.742 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -97.37 20.15 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.48 -8.21 75.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -65.07 158.14 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.81 70.16 13.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.21 19.01 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.677 2.252 . . . . 0.0 112.354 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -110.26 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -48.58 -49.12 37.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.18 79.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.72 -56.21 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 29' ' ' THR . 31.1 mt -53.63 -59.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -54.59 -36.36 64.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.07 -62.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 4.5 tpp -51.38 -56.78 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.651 HG13 HG23 ' A' ' 29' ' ' THR . 34.0 mm -50.57 -62.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -56.43 -22.71 33.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.15 -25.61 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HG12 ' A' ' 63' ' ' ILE . 5.6 m -113.7 26.04 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -107.47 115.55 30.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.08 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.59 -40.37 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.7 50.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -102.47 -20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.39 9.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.6 p -139.61 169.47 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.466 HG12 HG21 ' A' ' 55' ' ' VAL . 4.5 mt -107.18 124.13 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.45 -178.13 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -66.78 -56.61 13.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 -33.82 15.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -51.39 -66.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -49.81 -49.12 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -45.54 62.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.5 m -64.78 -41.94 95.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.54 -54.35 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.15 -31.95 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.13 -19.92 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -54.07 -27.94 35.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -60.9 -19.09 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.5 ttm -53.84 -26.93 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -51.48 -30.54 20.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.53 175.76 9.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -61.28 -39.54 90.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.69 39.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 p -97.06 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 85' ' ' ILE . 25.2 mt-10 -57.25 -50.08 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -50.19 -57.43 7.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -54.31 -51.02 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.723 HG21 HG12 ' A' ' 142' ' ' VAL . 20.7 mt -51.61 -71.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -47.97 -38.87 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 tt0 -58.44 -41.13 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.69 -60.79 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -57.28 -24.78 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -76.13 -44.82 36.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -73.98 -22.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.2 m-30 -77.81 -38.41 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -84.89 90.48 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -51.7 -61.01 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -69.95 -20.74 63.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.26 37.06 94.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -69.52 -19.36 63.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.78 13.92 18.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -153.55 129.53 10.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -96.74 121.32 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -97.3 167.03 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.61 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.26 -66.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.7 mt-10 -51.38 -55.96 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.552 HD21 ' CE ' ' A' ' 124' ' ' MET . 7.4 tp -51.58 -44.45 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -57.49 -51.74 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.08 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.9 t -68.11 -55.43 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ttm -71.87 -28.37 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 m -77.17 -34.26 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -55.39 -25.94 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -77.92 -30.1 50.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 26.3 5.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -108.84 104.35 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -66.76 117.0 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 121' ' ' VAL . 0.8 OUTLIER -111.46 167.26 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.88 157.85 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.55 -39.75 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.37 -43.65 98.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.04 -69.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 116' ' ' LEU . 91.2 t -54.41 -44.9 68.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.76 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -51.97 -36.1 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.552 ' CE ' HD21 ' A' ' 105' ' ' LEU . 5.7 ttt -54.92 -59.5 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HA2' ' A' ' 134' ' ' GLY . 28.2 mm -60.72 -43.02 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.214 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -61.39 -28.52 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -90.32 -24.09 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 136' ' ' VAL . . . -83.82 -29.37 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -104.5 115.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -55.97 -22.84 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -21.83 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.72 42.48 91.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -94.11 -10.11 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 125' ' ' ILE . . . 110.37 -2.81 29.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -118.16 130.8 56.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 128' ' ' ALA . 24.8 t -104.94 115.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -93.41 -175.42 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 9.6 t80 -69.61 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.53 -31.69 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -84.69 -24.48 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 85' ' ' ILE . 36.5 t80 -75.28 -34.23 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.723 HG12 HG21 ' A' ' 85' ' ' ILE . 3.8 m -76.49 -22.17 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.39 -20.77 31.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -62.66 -15.95 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.3 ttp -110.55 11.11 23.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.1 p -116.24 49.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 51.81 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.8 21.38 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.5 p -49.74 -50.11 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.7 t -93.36 19.37 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -110.65 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.51 32.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.74 -27.48 6.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.1 m -51.44 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -52.46 27.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.484 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 98.7 m95 -57.65 -35.54 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ARG . . . . . 0.417 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 12.3 mmt180 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 18' ' ' LEU . 33.9 ttpt -67.11 -53.42 30.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.729 HD11 HG11 ' A' ' 108' ' ' VAL . 7.1 tt -56.89 -46.32 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.513 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -67.8 -33.24 74.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.076 HD22 ' HB2' ' A' ' 15' ' ' ALA . 11.6 mt -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.533 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.3 -47.47 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 39' ' ' LEU . 7.3 m -66.17 -31.17 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -76.91 -51.19 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.83 -25.6 75.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.63 ' HB1' ' HG3' ' A' ' 36' ' ' MET . . . -55.54 -38.3 69.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -107.43 114.93 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.575 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -62.75 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.58 -24.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.83 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -52.83 -63.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -56.66 -41.6 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -50.94 -53.15 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.63 -34.72 67.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.099 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.92 -39.42 71.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -88.51 -40.06 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -54.45 -37.45 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.5 pp -70.94 -22.63 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.24 -70.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -59.5 103.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -90.45 -23.33 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -20.51 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.45 50.8 47.3 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -19.86 13.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.21 30.15 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -156.07 164.12 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 63' ' ' ILE . 2.6 mp -134.22 122.44 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -88.63 162.94 16.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.602 HG23 HG13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -53.37 -40.3 64.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 mt-10 -60.46 -70.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -50.49 -43.86 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.7 -64.97 3.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.0 m -53.08 -37.9 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 75.9 t -56.27 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.11 -42.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.39 -31.98 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -9.15 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.784 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER -93.77 20.14 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.95 15.39 79.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -107.35 168.18 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -123.41 68.32 39.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.09 18.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -109.76 -179.77 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.93 -41.04 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.78 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.16 -50.6 73.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 29' ' ' THR . 13.0 mt -63.01 -56.03 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.49 -38.21 66.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.8 -59.63 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.17 9.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HD21 ' A' ' 32' ' ' LEU . 45.8 mm -51.51 -55.29 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -60.89 -22.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -86.88 -22.88 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.47 23.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -138.59 105.12 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.87 -17.52 27.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -35.77 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.28 49.58 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.74 -21.2 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.84 11.37 55.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.56 142.5 32.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 27' ' ' ILE . 2.7 mt -82.05 138.75 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.39 179.58 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.24 -56.87 11.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 70' ' ' THR . 54.1 Cg_endo -69.66 -32.62 18.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -50.2 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -49.89 -43.51 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -46.56 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' PRO . 11.0 p -65.52 -46.26 80.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.6 ttp -52.34 -52.88 50.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.41 -48.1 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.57 -30.08 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.46 -28.52 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.05 -25.98 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -25.7 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.18 -29.87 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.06 106.72 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.3 m -51.63 -31.74 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.0 103.94 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -85.0 3.12 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.66 -37.13 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -55.7 -59.76 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.47 -53.32 59.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.9 mt -49.57 -70.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -47.01 -46.08 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.653 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.1 mm-40 -53.39 -39.37 64.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.61 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.89 -19.8 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -82.4 -37.84 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -80.38 -23.32 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.1 m-85 -72.38 -29.51 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.65 89.07 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -56.05 -52.73 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -69.62 -20.99 63.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.99 42.22 99.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.525 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -78.51 -16.57 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 6.11 28.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -151.81 141.09 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 105' ' ' LEU . 96.2 mt -90.63 132.38 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.7 m -108.56 165.29 11.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.41 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -71.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pt-20 -55.87 -41.58 74.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 100' ' ' ILE . 4.7 tp -57.99 -57.58 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HG2' HG21 ' A' ' 121' ' ' VAL . 33.7 mtp180 -53.21 -44.98 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.486 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 m-70 -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.3 t -59.76 -46.1 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 107' ' ' HIS . 6.5 t -50.5 -31.53 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.53 -60.23 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.95 -15.85 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.2 10.37 39.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.34 107.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -54.98 111.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.52 134.21 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.9 p -110.09 177.74 4.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -52.21 -35.85 50.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -63.8 -49.53 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.04 -64.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HG2' ' A' ' 106' ' ' ARG . 69.3 t -51.46 -51.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.81 -28.31 63.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.28 -59.82 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.58 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -53.64 -38.07 63.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 HD22 ' A' ' 105' ' ' LEU . 20.4 mm -72.98 -44.86 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -62.9 -27.26 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.2 -40.24 12.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.91 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.07 98.42 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -14.35 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.28 -20.78 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.99 47.04 48.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.05 11.21 29.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.58 18.0 69.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -136.32 132.7 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.14 124.07 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -104.71 163.54 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG13 ' A' ' 142' ' ' VAL . 72.9 t80 -58.7 -42.22 88.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 142' ' ' VAL . 7.6 tm-20 -49.28 -58.39 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.16 -25.92 58.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -56.19 -48.5 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.1 m -66.74 -22.96 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.23 -19.87 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.79 -16.11 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.15 10.92 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.3 p -109.53 29.78 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.76 21.25 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -50.76 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.75 -19.61 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -74.17 -177.21 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -86.12 34.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.51 -24.0 5.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 55.1 m -49.79 -67.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.27 -52.31 32.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -56.94 -29.82 63.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -61.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.794 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -49.4 -49.16 46.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 155' ' ' GLY . 6.2 tt -63.9 -44.89 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.485 ' N ' HG23 ' A' ' 159' ' ' ILE . 38.4 ttmt -60.99 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.099 HD22 ' HB2' ' A' ' 15' ' ' ALA . 27.6 mt -67.2 -43.98 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.28 -41.4 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.5 m -79.07 -25.35 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -81.26 -28.83 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -92.8 -49.81 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.456 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -50.98 -31.29 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -76.21 150.89 37.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -112.54 169.09 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.44 -22.31 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.62 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.06 -52.28 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.38 -42.77 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.36 -49.75 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.63 -38.55 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.75 -35.84 69.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -51.2 -47.62 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.34 -28.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -58.05 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.12 110.51 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -84.1 -26.08 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 -20.18 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.52 40.37 97.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -20.81 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.13 12.51 19.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -150.31 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.155 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.475 HG22 HD23 ' A' ' 32' ' ' LEU . 2.6 mp -136.35 120.98 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -93.58 170.64 9.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.613 HG23 HG13 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -56.62 -40.85 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -55.69 -41.01 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.5 tt0 -64.22 -69.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -50.77 -52.84 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.17 -52.6 35.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -64.11 -30.52 71.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 31' ' ' GLU . 42.7 t -64.03 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -67.04 -30.94 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -83.48 0.91 44.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 35' ' ' VAL . 2.4 mp -92.45 17.58 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.2 64.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -114.79 163.21 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -117.7 68.48 6.05 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.662 0.744 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.86 48.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -110.66 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.8 -28.57 65.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.74 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.71 -39.47 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.53 -59.2 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -51.65 -45.14 63.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.42 -54.71 43.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tpp -51.73 -59.82 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.697 HD11 HD21 ' A' ' 32' ' ' LEU . 38.4 mm -51.5 -58.48 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -55.45 -25.38 36.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -83.78 -25.84 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 63' ' ' ILE . 5.2 m -113.42 25.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -138.43 107.48 6.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.23 -16.36 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -40.5 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.77 49.51 3.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.36 6.16 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.9 30.57 70.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.2 p -140.75 149.22 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 55' ' ' VAL . 3.9 mt -100.34 122.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -76.4 -174.08 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.2 -60.2 3.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 110.839 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.4 Cg_endo -69.74 -29.47 23.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -50.84 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.88 -47.93 51.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.99 -50.95 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.2 m -58.52 -47.11 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 ttp -56.35 -41.23 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtp -70.78 -62.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.53 18.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -56.2 -26.99 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -20.73 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttt -56.09 -24.9 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -51.66 -30.3 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.98 163.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -70.46 -32.11 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.67 175.5 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 p -95.89 10.21 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -51.8 -38.5 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -55.59 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.38 -52.83 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 142' ' ' VAL . 66.5 mt -48.71 -70.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -46.89 -43.33 18.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 91' ' ' VAL . 24.7 mt-10 -54.79 -41.11 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.47 -60.74 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.94 -20.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -80.99 -44.25 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -72.76 -24.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.6 m-30 -71.22 -57.77 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -70.68 91.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -49.14 -51.34 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.16 -20.41 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.41 35.8 61.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -70.8 -10.55 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.61 8.11 25.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -153.11 140.98 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.2 126.35 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 m -100.01 160.95 13.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.06 22.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.24 -54.38 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 108' ' ' VAL . 31.6 mt-10 -61.26 -41.41 96.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.3 tp -65.9 -64.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.811 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -51.15 -33.85 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -70.98 -41.85 70.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.2 t -64.9 -36.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.4 ttm -80.91 -31.38 35.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.9 m -77.18 -33.63 56.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -51.81 -52.69 47.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.42 29.86 5.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.441 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.95 108.27 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -77.76 112.47 14.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.59 173.28 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.42 161.34 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -51.59 -40.28 59.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -62.51 -39.84 94.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.91 -69.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.99 -44.38 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -51.2 -56.53 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.32 -40.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.511 ' HE2' HD21 ' A' ' 105' ' ' LEU . 27.7 mtp -52.46 -55.38 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.36 -41.96 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.06 -29.44 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.55 -37.46 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.95 -2.75 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.2 110.24 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.492 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.6 mt -62.5 -47.54 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -20.71 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.42 48.04 72.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.29 -16.45 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.96 3.77 29.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -122.26 129.46 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 t -97.01 114.64 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -90.31 178.67 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 142' ' ' VAL . 7.7 t80 -70.72 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -50.99 -34.2 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 130' ' ' ILE . 20.1 mt-10 -83.52 -30.86 26.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.32 -56.34 17.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 138' ' ' TYR . 2.7 p -69.19 -24.1 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -75.64 -18.96 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.7 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 3.2 tmm? -73.26 -31.78 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -8.71 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.3 p -89.81 50.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.96 50.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.52 21.16 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.3 p -45.91 -49.87 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.9 p -92.56 -23.89 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.43 -176.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -84.74 34.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.37 -24.3 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.4 t -52.41 -70.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.47 -39.99 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.578 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 96.3 m95 -67.34 -30.64 70.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.679 0.276 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 23.5 ttp180 -72.07 -46.85 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -64.21 -46.52 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 155' ' ' GLY . 7.6 tt -63.62 -47.78 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.1 ptpp? -66.29 -34.21 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.3 mt -69.68 -36.96 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.54 -47.69 59.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 91' ' ' VAL . 7.6 p -63.78 -41.99 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.173 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.698 ' HD2' HD23 ' A' ' 161' ' ' LEU . 8.1 ptp180 -72.66 -33.81 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -67.68 -47.86 59.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . . . -64.97 -39.61 93.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.053 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -115.22 111.44 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -107.0 171.73 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.65 -22.2 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.14 -48.14 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.65 -55.49 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -54.89 -48.7 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -50.58 -56.65 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.08 -41.29 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.16 -43.33 82.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -48.58 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 t -51.3 -49.84 60.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 162' ' ' ALA . 0.6 OUTLIER -69.07 -23.81 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.35 -50.79 20.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -97.89 122.21 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -89.69 -30.23 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.16 -20.17 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.33 43.67 97.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -94.65 -20.1 19.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.9 29.17 5.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -169.2 163.1 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.43 123.83 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' THR . 3.4 m -89.35 161.23 16.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.33 -41.18 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.85 -55.4 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.0 mt-10 -56.37 -62.07 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -49.4 -49.64 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.09 -60.48 7.57 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -59.28 -36.12 74.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 31' ' ' GLU . 40.5 t -59.68 -60.89 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.67 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.1 ptp -65.39 -25.05 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -79.07 -24.53 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.56 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.71 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -93.84 20.41 7.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 0.18 89.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.06 147.94 36.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -114.22 72.44 2.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -110.39 175.27 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.88 -48.1 60.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.54 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -58.64 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' THR . 25.6 mt -53.09 -55.76 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -55.11 -37.71 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.8 -62.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -51.57 -57.81 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.684 HG13 HG23 ' A' ' 29' ' ' THR . 31.5 mm -50.78 -60.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -56.3 -24.2 41.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -83.65 -24.76 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.46 HG21 HG12 ' A' ' 63' ' ' ILE . 4.5 m -116.29 25.21 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -133.94 108.71 8.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.65 -16.11 29.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -40.21 18.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.65 18.82 29.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.47 5.28 35.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.7 30.63 69.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.8 p -134.43 165.44 25.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.744 0.307 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 55' ' ' VAL . 4.7 mt -106.46 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -173.88 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -69.95 -59.48 4.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.687 0.756 . . . . 0.0 110.901 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.77 -30.27 22.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -51.85 -66.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -50.56 -46.63 57.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.95 -51.08 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -60.13 -43.44 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.78 -62.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.1 ttp -59.7 -51.39 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.22 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -51.86 -52.52 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.92 -26.79 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -20.73 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -30.35 20.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -52.64 141.4 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.8 m -73.26 -54.23 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.62 119.64 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -96.16 9.51 40.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.18 -36.15 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -56.14 -60.02 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.75 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.516 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.8 mm -48.79 -70.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -47.07 -48.68 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.673 ' O ' HG13 ' A' ' 91' ' ' VAL . 36.6 mt-10 -51.29 -38.08 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.61 -51.22 58.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.55 -19.13 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -35.01 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.2 m -80.4 -28.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.2 m-30 -74.04 -41.88 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.6 90.63 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.81 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -69.33 -20.44 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.04 35.66 90.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.97 -20.52 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 15.6 11.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -153.67 138.27 16.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.717 HG21 HD13 ' A' ' 105' ' ' LEU . 90.7 mt -100.9 119.55 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 m -98.17 -178.03 3.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.445 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -66.54 -28.21 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.32 -59.96 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.7 mt-10 -60.06 -44.31 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.731 HD22 HD11 ' A' ' 125' ' ' ILE . 2.4 tp -61.36 -64.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.656 ' O ' HG23 ' A' ' 110' ' ' THR . 10.2 ptm180 -50.96 -35.22 32.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -66.05 -44.4 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' GLU . 55.3 t -64.54 -38.84 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mmt -67.17 -61.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 106' ' ' ARG . 29.5 p -53.15 -44.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.44 -45.19 62.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -61.67 -26.56 68.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.24 30.48 3.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -126.69 89.9 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.38 130.63 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 169.63 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.1 161.8 15.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -51.64 -37.64 51.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.52 -38.55 90.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.61 -67.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.445 HG11 ' HB1' ' A' ' 102' ' ' ALA . 74.6 t -53.84 -50.29 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.16 -34.43 66.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.48 -63.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.577 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.1 ptm -51.36 -32.31 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.731 HD11 HD22 ' A' ' 105' ' ' LEU . 15.7 mm -70.94 -60.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -54.03 -27.36 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.15 -31.54 20.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' A' ' 136' ' ' VAL . . . -76.31 -21.86 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -110.31 120.1 41.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -66.33 -17.56 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -21.71 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.03 43.83 94.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.56 -10.09 44.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.54 0.19 40.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -124.79 130.0 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 128' ' ' ALA . 16.2 t -97.12 112.09 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.06 164.95 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.5 t80 -62.83 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -48.83 -55.82 10.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -75.38 -28.94 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.516 ' HE1' HG23 ' A' ' 85' ' ' ILE . 40.3 t80 -53.98 -49.1 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.3 m -64.85 -21.59 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.8 -19.72 65.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.71 -17.23 54.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -110.41 10.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -111.25 34.92 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 107.59 50.85 0.78 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -96.47 21.22 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -49.14 -50.35 37.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 65.8 p -80.15 -13.78 58.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.624 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.98 -177.15 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.23 33.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.29 -25.98 4.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 t -49.82 -67.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.56 -52.34 24.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.621 ' CH2' HD21 ' A' ' 105' ' ' LEU . 92.9 m95 -55.76 -35.5 66.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 160' ' ' LYS . 14.8 tpp180 -68.35 -40.76 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.583 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -68.06 -53.03 28.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.611 ' O ' HG13 ' A' ' 163' ' ' VAL . 6.1 tt -58.9 -45.02 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -67.96 -33.96 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.087 HD22 ' HB2' ' A' ' 15' ' ' ALA . 10.9 mt -68.57 -36.0 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.44 -46.27 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.71 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.7 m -67.29 -32.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.481 ' NE ' HD23 ' A' ' 161' ' ' LEU . 8.7 ptt180 -84.41 -31.3 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.47 -27.66 54.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.52 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -52.24 -40.11 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -121.13 -178.13 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -93.61 -69.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.2 -22.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.7 -48.17 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -50.88 -65.46 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.17 -41.33 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -49.42 -58.43 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.1 tm-20 -66.51 -32.95 74.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.007 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -54.22 -51.58 64.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -77.62 -38.26 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -50.47 -48.4 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -70.9 -27.42 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' HG11 ' A' ' 35' ' ' VAL . 6.8 t80 -66.44 -18.55 65.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.61 102.04 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.92 -23.34 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.94 -20.74 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.14 46.92 92.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -77.78 -8.57 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.67 -1.34 45.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -164.57 165.49 21.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' A' ' 63' ' ' ILE . 3.5 mp -127.12 132.98 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 29' ' ' THR . 2.7 m -95.01 163.88 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.671 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.39 -42.18 31.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -58.66 -60.77 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-10 -53.44 -55.13 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -54.54 -49.54 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -51.45 -55.97 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -61.0 -34.42 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.2 t -67.77 -37.19 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.733 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.6 ptp -84.68 -19.63 32.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -90.16 -22.47 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -15.32 45.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.771 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.4 mm? -89.32 19.26 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 13.63 83.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.531 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -90.08 156.92 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -113.87 72.97 2.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 137.8 36.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.84 172.67 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -52.48 -44.65 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.72 -59.33 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.564 ' HB3' HG22 ' A' ' 29' ' ' THR . 29.7 mt -51.97 -59.27 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -51.81 -41.67 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.13 -64.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 mtm -50.44 -59.85 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.671 HG13 HG23 ' A' ' 29' ' ' THR . 35.8 mm -49.25 -59.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.03 -27.45 32.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -80.19 -27.77 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 52' ' ' ILE . 4.4 m -109.36 23.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -129.82 108.09 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.76 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.51 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 48.1 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.23 9.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.05 30.63 74.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -139.7 154.81 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -113.01 133.21 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 92.0 m-20 -93.34 173.51 7.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 2.0 t80 -63.26 -55.04 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.5 Cg_endo -69.77 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.45 -58.27 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 63' ' ' ILE . 51.3 t80 -55.8 -48.98 74.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -47.79 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.2 m -65.25 -42.0 93.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -53.22 -57.1 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.0 ptm -70.68 -33.4 70.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.48 -33.56 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.32 -30.73 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.07 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -51.72 -30.5 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -52.04 -29.85 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -109.61 102.62 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -60.32 -25.04 65.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.09 101.36 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -95.2 7.1 47.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.54 -36.34 44.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.11 -59.85 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.54 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.623 HG23 ' HE1' ' A' ' 141' ' ' PHE . 83.4 mt -49.36 -71.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -47.56 -46.17 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.625 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.9 mm-40 -53.14 -38.37 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.518 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.41 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -59.56 -19.76 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -81.87 -40.13 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -77.76 -24.28 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.3 m-30 -73.27 -42.0 62.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.68 84.43 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -50.68 -53.17 33.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.1 -20.85 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.19 39.04 94.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -73.23 -16.12 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.12 4.75 29.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -151.9 134.72 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 105' ' ' LEU . 72.5 mt -86.8 133.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.0 m -110.24 164.87 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.88 -19.53 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.12 -70.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.2 pt-20 -58.66 -42.79 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 100' ' ' ILE . 7.7 tp -55.18 -59.49 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -55.77 -42.25 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.433 ' HA ' HG22 ' A' ' 110' ' ' THR . 2.2 m-70 -62.98 -32.38 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.5 t -72.97 -44.59 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.454 ' CB ' HD21 ' A' ' 116' ' ' LEU . 10.3 mmt -65.47 -38.86 91.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 107' ' ' HIS . 13.9 t -77.49 -33.86 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -52.16 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -21.3 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.22 -6.81 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.63 115.43 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -81.76 111.33 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -124.93 168.85 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 120' ' ' GLU . 4.1 t -110.17 160.67 16.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.4 -36.44 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.88 -45.54 93.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.481 ' H ' HG23 ' A' ' 117' ' ' THR . 8.3 mt-10 -51.84 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.1 -42.39 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.44 -56.74 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.19 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttt -55.62 -48.39 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.648 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -72.9 -50.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -56.07 -25.52 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.0 -39.31 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.87 -1.65 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -120.29 107.53 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.7 mt -62.97 -46.81 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -20.65 57.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.31 37.6 86.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.62 11.73 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.63 9.77 86.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -127.05 129.54 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.0 t -96.33 122.74 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.72 164.43 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.21 -52.34 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.68 -37.15 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.71 -28.95 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.9 t80 -63.14 -47.7 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.82 -24.86 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.28 -22.95 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.414 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.3 mpp? -65.21 -14.07 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.9 ttp -110.54 10.95 23.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -120.61 48.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.76 50.95 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.76 21.03 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.069 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 57.5 p -48.48 -47.78 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 17.1 p -86.77 -14.82 41.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -79.24 -178.24 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.98 32.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.29 -26.4 6.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.4 m -50.89 -65.08 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.47 -53.19 25.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.524 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 95.3 m95 -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.28 -47.32 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.61 ' CG ' HD22 ' A' ' 18' ' ' LEU . 10.8 tttp -61.06 -56.01 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 163' ' ' VAL . 3.5 tt -57.35 -41.28 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.026 0.441 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.46 ' HA ' HG22 ' A' ' 163' ' ' VAL . 37.1 ttmt -68.27 -36.62 79.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 15' ' ' ALA . 20.0 mt -68.14 -35.41 78.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.913 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.95 -47.64 36.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.771 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.8 m -66.04 -33.52 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.557 ' HD3' HD23 ' A' ' 161' ' ' LEU . 8.7 ptm180 -82.23 -32.75 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.61 -26.52 58.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.733 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -72.08 -30.39 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.19 -16.68 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.43 131.1 28.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 15.6 pttm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -71.8 -21.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.59 -47.2 58.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.55 ' HG2' HD23 ' A' ' 161' ' ' LEU . 1.2 mt-10 -51.88 -55.05 22.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.65 -47.22 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -51.57 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -52.19 -42.63 63.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -54.91 -51.54 65.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -62.22 -39.76 93.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -57.65 -50.4 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 18' ' ' LEU . 4.4 pp -76.69 -14.08 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -82.21 -69.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.45 141.39 58.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -85.31 -35.02 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.1 -20.76 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.78 50.41 66.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -81.35 -6.72 59.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.27 24.37 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -169.75 160.42 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.178 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.61 HG22 HD23 ' A' ' 32' ' ' LEU . 6.7 mt -130.25 127.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -100.43 164.97 11.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 52' ' ' ILE . 1.1 p -48.45 -34.28 10.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -59.15 -54.13 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.678 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -54.31 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.785 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -48.91 -44.94 40.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.71 -65.1 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -56.05 -37.99 70.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 19' ' ' PHE . 58.2 t -54.33 -66.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.751 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.9 ptp -60.58 -27.69 67.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -74.55 -23.4 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.723 ' OG ' HD12 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -69.9 -10.92 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.742 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.1 mm? -92.67 -5.15 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.19 8.94 37.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -122.0 97.99 5.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -75.93 113.42 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 163.62 37.67 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.7 t -110.99 167.05 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -51.36 -47.76 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 44' ' ' THR . 10.9 mm-40 -59.67 -66.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.657 HD22 HD12 ' A' ' 32' ' ' LEU . 47.3 mt -49.56 -54.21 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.42 -42.58 74.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.28 -55.29 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.5 tpp -52.44 -59.44 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.764 HD11 HD21 ' A' ' 32' ' ' LEU . 46.7 mm -49.26 -58.55 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -60.61 -21.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -85.17 -23.28 28.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 63' ' ' ILE . 11.3 m -114.25 24.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.72 100.5 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.38 -18.34 61.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.93 -35.55 6.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 50.24 4.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.46 -20.71 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.12 13.9 23.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -145.28 158.64 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 HG21 ' A' ' 55' ' ' VAL . 3.1 mt -93.52 136.38 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.86 -179.86 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.59 -57.17 10.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.9 Cg_endo -69.74 -33.85 15.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.67 -67.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -50.34 -50.09 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -46.03 36.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.6 m -66.91 -40.32 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ttp -56.27 -56.92 15.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.89 -32.96 73.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.54 71.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -59.54 -34.5 72.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -55.55 -27.18 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ttt -58.05 -26.03 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -52.18 -52.34 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.45 102.01 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -56.31 -24.84 46.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.79 102.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -90.17 -23.39 21.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -48.81 -36.1 15.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.35 -58.72 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.39 -55.97 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.57 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.7 mm -49.08 -69.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -46.56 -52.63 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.4 tp10 -49.76 -36.86 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -63.74 -57.3 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -63.67 -19.35 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -34.36 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.8 m -83.81 -25.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -75.44 -25.26 57.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.47 91.06 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -54.08 -62.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -68.98 -20.52 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.92 36.17 81.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -71.43 -20.48 62.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.66 12.76 27.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -147.8 129.57 15.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.973 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 105' ' ' LEU . 73.1 mt -93.05 113.4 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.1 m -96.93 167.6 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.624 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.54 -32.27 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.87 -64.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 108' ' ' VAL . 29.7 mt-10 -52.25 -57.12 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 100' ' ' ILE . 5.9 tp -51.49 -42.06 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.671 ' CG ' HG21 ' A' ' 121' ' ' VAL . 43.7 mtm180 -58.8 -55.63 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.39 -26.75 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 104' ' ' GLU . 52.1 t -67.56 -53.81 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mtm -77.72 -20.67 53.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -81.25 -39.87 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.45 -27.16 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.723 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -73.58 -18.75 61.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.44 -15.11 30.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.69 116.18 17.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -80.61 123.57 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -116.27 162.82 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -109.14 162.35 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.21 -35.38 49.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.34 -40.2 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.17 -65.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 106' ' ' ARG . 99.5 t -53.87 -47.2 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.51 -31.2 70.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.36 -63.23 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -51.49 -39.25 57.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -69.58 -49.66 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.0 -29.58 65.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.58 -27.49 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.7 9.36 24.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -120.78 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.5 -42.46 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -20.56 25.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.27 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -9.21 21.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.06 6.36 48.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -123.09 129.62 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 t -96.47 128.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -109.99 -169.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' HG13 ' A' ' 142' ' ' VAL . 10.4 t80 -73.02 -60.46 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.32 -28.18 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.69 -28.32 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.1 t80 -71.59 -33.42 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.7 m -77.89 -26.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.49 -20.92 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -65.1 -13.71 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 10.88 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 p -114.93 46.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.21 51.04 1.8 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.49 21.18 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -50.13 -50.25 49.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.64 -22.23 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -67.62 -177.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.43 33.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.25 -24.54 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -50.38 -67.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.28 -49.99 42.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 105' ' ' LEU . 89.7 m95 -58.9 -29.84 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -71.4 -59.37 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -49.61 62.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.0 tt -62.9 -44.03 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 159' ' ' ILE . 34.0 ttmt -64.37 -34.22 77.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -72.11 -37.81 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -69.38 -41.21 76.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' HG ' ' A' ' 39' ' ' LEU . 36.0 m -73.12 -38.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.474 ' HD3' HD22 ' A' ' 161' ' ' LEU . 9.1 ptm180 -76.34 -30.88 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -88.65 -23.22 36.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.751 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.56 -38.88 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.714 0.292 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -113.81 -173.31 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.05 -50.3 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.56 -22.49 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.78 60.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.55 -47.72 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -51.01 -57.99 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.79 -44.4 73.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -57.26 -38.53 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.07 -66.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -52.07 -26.74 11.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.95 -70.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -7.27 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -106.38 86.86 2.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -14.69 32.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.25 -20.61 37.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.82 58.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -20.39 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.22 26.12 22.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -153.95 167.93 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.1 135.17 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 31' ' ' GLU . 14.6 t -100.24 170.75 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' HD21 ' A' ' 32' ' ' LEU . 1.3 p -59.77 -39.92 86.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -59.59 -39.91 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.4 mt-10 -62.51 -69.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 HD22 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -49.71 -47.46 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.81 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.61 -43.12 79.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' GLU . 34.1 t -50.52 -62.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.683 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.1 ptp -61.84 -31.28 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -67.82 -27.7 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -13.42 59.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.0 mm? -93.67 20.07 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 17.59 79.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.14 152.3 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.28 67.3 6.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 156.94 61.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -111.21 163.27 14.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.54 -38.73 55.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.1 89.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.8 -54.93 41.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -57.82 -58.5 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.38 -38.23 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.56 -60.21 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mtt -51.4 -53.26 38.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG13 ' A' ' 63' ' ' ILE . 7.9 mm -50.27 -58.67 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.6 -16.73 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.37 -31.98 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 HG12 ' A' ' 63' ' ' ILE . 4.9 m -100.47 -14.82 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 102.2 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.43 -17.98 46.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -111.65 -40.41 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 50.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.78 -20.41 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 21.65 10.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 p -146.48 170.66 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 111.161 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.784 HG12 HG21 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -102.3 122.62 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.43 177.82 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.94 -56.68 10.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.84 -34.09 15.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.2 -61.37 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -57.66 -39.73 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -61.41 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -62.97 -34.8 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.2 ttp -53.74 -52.38 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 ptm -83.95 -19.62 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.11 -23.41 34.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.36 -25.93 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -81.16 -12.82 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttp -81.57 -0.08 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -55.27 -25.79 36.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t0 63.62 38.45 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -97.99 -33.81 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.71 83.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 m -77.65 -28.06 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.55 -47.37 57.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -58.1 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.15 -46.76 79.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.66 -71.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -48.2 -41.12 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.62 -40.13 74.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.15 -60.47 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 100' ' ' ILE . 31.8 t80 -59.13 -21.41 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -79.95 -42.37 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.9 m -75.36 -24.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.9 m-85 -71.95 -45.46 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.75 91.13 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -49.17 -63.04 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.98 -20.52 63.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.65 37.01 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.548 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -70.29 -13.24 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.44 8.7 24.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -152.22 143.45 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 89' ' ' PHE . 78.8 mt -98.34 113.51 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.9 m -86.04 167.17 15.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.76 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.44 25.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -59.71 -47.87 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 125' ' ' ILE . 14.2 tp -61.49 -63.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.663 ' O ' HG23 ' A' ' 110' ' ' THR . 30.0 ptt85 -50.63 -33.81 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -68.28 -44.28 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.09 -34.11 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.625 ' HG2' HD22 ' A' ' 116' ' ' LEU . 28.0 tpp -71.04 -58.25 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 106' ' ' ARG . 30.9 p -56.91 -50.52 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -52.94 -34.87 57.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.521 HD11 HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.56 -28.88 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.19 27.11 4.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -108.47 177.92 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.3 tttm -114.98 112.33 22.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.625 HD22 ' HG2' ' A' ' 109' ' ' MET . 2.0 mp -147.75 132.66 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.2 p -106.49 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -50.9 -34.69 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.83 -54.86 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.72 -58.2 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.3 t -53.76 -53.19 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -56.34 -29.45 61.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -62.41 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -51.49 -37.01 47.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -70.51 -50.83 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -29.94 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -87.26 -35.01 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.07 3.83 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -121.13 133.46 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 140' ' ' GLU . 3.5 mm -80.43 -44.58 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.198 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -20.38 28.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.01 40.12 95.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.83 6.29 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.8 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.87 3.48 83.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.576 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.89 129.75 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 125' ' ' ILE . 14.9 t -97.35 116.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -95.17 160.84 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG13 ' A' ' 142' ' ' VAL . 65.0 t80 -57.89 -44.26 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -57.28 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 130' ' ' ILE . 7.0 pt-20 -74.64 -22.39 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.66 -48.97 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -69.66 -28.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.26 -24.73 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.9 tmm? -65.93 -25.04 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 mtp -94.75 -2.07 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 142' ' ' VAL . 31.0 p -99.65 51.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.14 51.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -94.25 21.8 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -47.69 -48.77 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.5 t -100.11 -16.34 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.87 -177.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.69 33.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.95 5.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.407 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.4 p -49.44 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.8 -54.46 21.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -53.5 -34.03 56.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -67.76 -51.92 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -56.18 -53.68 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 155' ' ' GLY . 4.1 tt -59.83 -42.83 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.8 ttmt -62.34 -45.94 90.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -61.62 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -62.99 -50.36 71.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.6 m -67.65 -26.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.471 ' NH2' HD22 ' A' ' 161' ' ' LEU . 41.6 mtm180 -73.95 -57.35 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.06 -28.88 73.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.31 -31.22 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -109.36 119.64 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.4 8.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 14.7 tptt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.71 -21.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.17 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 161' ' ' LEU . 5.7 mm-40 -51.2 -50.8 58.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 69' ' ' LEU . 8.0 m-85 -63.41 -40.5 97.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -54.52 -58.15 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HG3' HD13 ' A' ' 161' ' ' LEU . 13.7 pt-20 -61.66 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.776 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.34 -36.52 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.92 -47.7 24.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.795 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -52.06 -49.44 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -68.06 -18.95 64.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -64.6 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.78 116.99 22.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.1 -22.42 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -20.22 33.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.0 49.41 59.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -97.1 -20.14 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 22.74 7.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -163.62 163.04 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HD23 ' A' ' 32' ' ' LEU . 13.0 mt -127.66 124.3 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -94.59 168.09 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' HD21 ' A' ' 32' ' ' LEU . 18.0 p -54.2 -31.27 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -60.39 -49.08 79.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.7 mt-10 -61.66 -69.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -48.94 -43.17 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.44 5.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.4 m -58.09 -37.17 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.4 t -58.84 -60.57 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.703 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 22.0 ptp -68.17 -19.91 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -74.86 -37.13 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 1.01 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.824 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -93.15 19.78 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 20.88 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -119.48 157.65 27.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -112.74 76.91 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 130.87 20.21 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.764 2.309 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -110.61 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.45 -48.1 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.4 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.62 -62.09 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 32' ' ' LEU . 19.0 mt -53.91 -54.32 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -53.99 -45.01 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -56.19 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mmt -50.45 -59.71 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.79 HD11 HD21 ' A' ' 32' ' ' LEU . 48.1 mm -51.15 -58.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.26 -23.78 38.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.64 -25.03 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -116.69 26.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -136.09 105.34 6.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.94 -13.78 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -40.35 15.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 39.41 5.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' THR . 1.5 p30 -106.08 6.83 31.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.427 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.8 30.37 69.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.8 p -137.47 168.68 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 111.163 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 55' ' ' VAL . 3.2 mt -113.82 130.81 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -85.08 -177.17 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -68.82 -61.11 3.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.715 ' O ' HG23 ' A' ' 70' ' ' THR . 52.9 Cg_endo -69.77 -27.66 26.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.04 -66.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -49.69 -44.43 48.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -51.14 -47.79 61.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 66' ' ' PRO . 9.8 p -66.42 -45.2 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.4 ttp -51.28 -56.86 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.956 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.54 -50.18 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.97 -29.76 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -51.77 -31.33 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.49 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -59.02 -25.26 63.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -52.07 -30.43 25.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.46 160.27 20.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.9 t -102.81 10.2 38.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.62 98.58 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 p -88.27 -20.47 25.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 -36.48 46.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -56.47 -59.85 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -52.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.595 HG23 ' HE1' ' A' ' 141' ' ' PHE . 39.5 mm -50.74 -71.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -46.27 -43.45 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.1 tt0 -55.53 -41.37 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.13 -61.14 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -58.72 -21.03 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.06 -41.37 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -77.68 -22.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 22.7 m-85 -74.22 -50.39 19.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.43 91.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -52.03 -64.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -69.4 -20.76 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.22 92.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.05 -18.28 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.26 17.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -152.65 140.85 20.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.999 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 HD13 ' A' ' 105' ' ' LEU . 69.7 mt -99.78 120.37 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -95.91 179.96 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.726 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -69.83 -27.54 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.44 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.5 mt-10 -58.72 -40.51 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -66.99 -63.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -51.09 -32.01 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -74.34 -41.12 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.8 t -62.32 -44.28 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mtm -73.85 -54.58 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.6 m -55.07 -32.62 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -56.53 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 39' ' ' LEU . 4.1 mp -60.26 -19.5 55.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.33 21.42 6.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.73 147.02 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -104.98 131.11 52.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -157.64 155.84 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -111.85 179.92 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.41 -41.28 76.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.68 -37.39 81.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -59.11 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.726 HG11 ' HB1' ' A' ' 102' ' ' ALA . 27.0 t -51.15 -45.92 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -60.53 -33.32 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 152' ' ' ALA . 7.6 tp10 -71.23 -62.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.534 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.5 ptm -51.19 -39.19 55.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.517 HD11 HD22 ' A' ' 105' ' ' LEU . 17.6 mm -70.64 -44.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -87.41 -41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB2' ' NE1' ' A' ' 156' ' ' TRP . . . -70.04 -24.01 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -114.06 110.89 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -13.75 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.0 -20.55 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.36 39.0 70.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.77 1.33 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.61 5.95 68.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -130.2 133.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.65 106.67 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -85.28 165.11 17.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.498 ' O ' HG13 ' A' ' 142' ' ' VAL . 83.9 t80 -66.45 -45.14 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -48.98 -48.15 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.69 -30.73 29.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.595 ' HE1' HG23 ' A' ' 85' ' ' ILE . 39.6 t80 -52.63 -51.24 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.9 m -61.68 -30.12 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -68.4 -21.64 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 156' ' ' TRP . 5.0 tmm? -67.58 -12.18 59.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.28 11.64 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -105.84 29.95 6.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.04 52.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.775 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -100.2 22.68 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.7 p -45.3 -50.12 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.6 t -76.24 -28.7 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.775 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -64.47 -176.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -85.28 34.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.13 -26.35 4.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.2 m -48.44 -67.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.67 -56.06 12.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.506 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.2 m95 -52.24 -35.1 48.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -52.74 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.643 ' HG3' HD22 ' A' ' 18' ' ' LEU . 13.0 ttpt -54.82 -53.93 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 92' ' ' PHE . 5.4 tt -59.91 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 3.8 mmmp? -62.25 -36.32 81.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 15' ' ' ALA . 6.8 mt -68.06 -46.07 72.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.66 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.824 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -71.79 -31.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -75.59 -33.45 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.45 -47.23 8.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.48 -30.89 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.277 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -120.75 100.21 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.57 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.88 -21.37 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.99 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -43.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -67.94 -49.05 64.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -51.28 -42.26 61.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.04 -39.8 60.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.962 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.13 -37.06 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -88.5 -43.11 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -51.11 -48.19 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 18' ' ' LEU . 4.3 pp -70.52 -23.38 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -62.07 1.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -83.09 111.73 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -88.73 -27.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.55 -20.14 61.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.56 47.03 92.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -99.82 -19.95 16.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.33 6.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -167.01 163.82 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' ' 31' ' ' GLU . 8.7 mt -132.42 122.44 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -98.85 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -50.84 -32.19 19.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -60.91 -45.85 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 27' ' ' ILE . 1.1 tt0 -62.94 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -50.49 -43.68 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.11 -62.19 6.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 m -56.35 -29.51 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' GLU . 44.9 t -65.27 -61.29 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -35.75 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -72.84 -31.02 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -76.18 -5.67 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.452 HD21 ' HA ' ' A' ' 163' ' ' VAL . 4.1 mp -92.73 17.26 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 14.39 77.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -107.49 -177.26 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -134.93 74.53 63.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.05 55.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.744 2.296 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 p -110.38 166.77 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.09 -26.91 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.1 59.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.96 -47.77 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 32' ' ' LEU . 12.6 mt -59.1 -61.73 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -52.18 -41.21 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -57.26 -62.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.36 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD21 ' A' ' 32' ' ' LEU . 35.9 mm -51.02 -59.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.31 -23.32 47.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -84.25 -24.82 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 63' ' ' ILE . 5.0 m -117.8 25.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -137.34 104.53 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.69 -15.34 30.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -40.74 16.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.05 43.28 4.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 62' ' ' THR . 0.5 OUTLIER -108.63 4.0 23.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.91 30.25 69.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.413 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 60' ' ' ASN . 26.3 p -137.58 160.14 39.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 55' ' ' VAL . 3.6 mt -111.67 139.55 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -95.67 -178.84 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 t80 -66.99 -56.82 12.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.756 ' O ' HG23 ' A' ' 70' ' ' THR . 52.7 Cg_endo -69.8 -35.69 12.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.661 2.241 . . . . 0.0 112.245 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -49.3 -66.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -50.9 -41.68 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -45.65 79.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 66' ' ' PRO . 12.1 p -65.81 -46.9 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -52.9 -50.3 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -51.97 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.85 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -55.56 -25.73 39.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -65.41 -18.34 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.5 ttp -51.39 -30.49 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -51.7 -30.18 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -114.12 132.95 55.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 p -89.68 10.27 23.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.22 98.62 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 p -90.82 -22.76 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -58.54 -33.77 70.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.04 -61.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.74 -47.59 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.512 HG23 ' HE1' ' A' ' 141' ' ' PHE . 27.9 mm -53.19 -71.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -47.42 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.8 tp10 -53.69 -38.93 64.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.25 -60.72 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.22 -19.9 49.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -81.7 -41.78 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.6 m -75.35 -25.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.3 m-30 -69.76 -43.85 71.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -84.02 90.88 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -50.03 -46.97 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.38 -20.06 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.17 35.48 60.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -70.39 -11.21 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.6 7.38 25.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -153.39 141.75 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 105' ' ' LEU . 97.5 mt -96.62 129.87 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -100.15 165.69 11.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.97 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.91 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 mt-10 -58.06 -46.11 85.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.644 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.6 tp -65.46 -61.98 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -50.41 -31.75 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.31 -44.87 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.4 t -65.2 -29.06 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.0 tpp -86.95 -42.69 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.9 m -67.71 -45.96 73.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -59.44 -35.89 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -24.38 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.1 -17.29 32.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.9 107.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -63.01 140.39 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.664 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -156.25 158.06 36.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -50.57 -39.8 50.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.0 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 HD23 ' A' ' 116' ' ' LEU . 38.1 t -54.81 -47.96 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -51.05 -46.78 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.49 -37.07 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CE2' ' A' ' 156' ' ' TRP . 14.3 mtp -60.38 -41.78 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.15 -44.48 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -62.0 -27.35 68.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -90.33 -40.83 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.66 63.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -104.53 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -13.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.18 -21.01 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.0 45.28 96.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.71 -16.89 23.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.56 6.33 35.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -140.32 132.09 27.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.1 t -88.15 130.12 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -109.86 164.82 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.608 ' O ' HG13 ' A' ' 142' ' ' VAL . 92.2 t80 -65.61 -42.94 91.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -49.49 -49.28 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.82 -31.09 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.512 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.0 t80 -52.34 -48.09 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -65.69 -26.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -84.94 -20.3 30.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 9.9 tmm? -63.69 -20.86 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.62 9.56 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 142' ' ' VAL . 67.9 p -104.48 46.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 50.54 0.24 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.946 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -106.95 22.86 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 t -43.61 -39.24 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -97.37 -25.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -61.89 -176.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.71 33.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.96 -25.4 5.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.71 -57.39 12.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.644 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.5 m95 -52.55 -34.98 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -66.18 -48.89 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.72 -55.48 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 160' ' ' LYS . 6.0 tt -56.54 -45.29 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.6 ttpt -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.962 HD22 ' HB2' ' A' ' 15' ' ' ALA . 26.2 mt -65.48 -36.16 83.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.33 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.528 HG21 HG21 ' A' ' 91' ' ' VAL . 6.0 p -65.96 -36.11 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -55.73 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -62.55 -44.83 97.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -96.37 116.65 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.74 78.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 14.5 tptm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.15 -22.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -43.33 63.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.08 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CG ' HD11 ' A' ' 69' ' ' LEU . 36.4 m-85 -52.12 -47.39 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -49.39 -55.31 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.01 -39.74 86.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -62.52 -35.59 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.81 -58.23 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -63.2 -22.4 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.81 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' HD23 ' A' ' 18' ' ' LEU . 2.8 p90 -81.17 -16.11 53.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.29 96.69 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -90.28 -31.04 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.14 -22.85 62.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 50.97 13.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.45 -16.48 56.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 13.96 25.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -167.63 173.13 8.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.595 HG23 ' CB ' ' A' ' 31' ' ' GLU . 3.5 mp -138.4 133.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 30' ' ' LYS . 14.4 t -100.41 174.8 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' ILE . 77.0 p -57.44 -27.81 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.225 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.643 ' H ' HG23 ' A' ' 28' ' ' THR . 45.4 mttp -63.2 -52.8 60.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -58.47 -67.16 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -49.96 -52.49 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.87 -55.37 9.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.454 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.7 m -63.91 -28.27 69.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.07 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLU . 76.2 t -70.28 -45.64 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 ptp -73.1 -31.2 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.35 -29.62 42.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 16.6 p -71.1 -8.73 55.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.788 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -87.38 10.14 18.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 10.71 57.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -106.95 156.41 18.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -118.62 66.92 7.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 157.85 58.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 46' ' ' ALA . 12.0 t -111.81 178.42 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.48 -42.1 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' H ' HG23 ' A' ' 44' ' ' THR . . . -50.43 -46.18 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -58.61 -46.69 86.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.58 -60.77 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -53.06 -37.35 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.06 -60.19 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.8 mmm -52.15 -55.09 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 32' ' ' LEU . 28.7 mm -51.68 -53.78 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.19 -26.87 66.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 -25.88 37.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 71' ' ' MET . 5.6 m -111.38 22.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.58 96.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -17.07 64.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -37.43 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 50.97 2.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -95.92 -20.86 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.22 19.32 9.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.7 p -150.88 168.64 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.84 133.18 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 77.7 m-20 -95.95 175.85 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.2 t80 -64.96 -53.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.99 -51.71 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 63' ' ' ILE . 26.9 t80 -55.5 -52.6 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.29 -36.49 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB2' HG12 ' A' ' 55' ' ' VAL . 13.4 tmm? -55.6 -51.92 65.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -53.23 52.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 -29.89 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.8 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -85.0 -10.53 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.9 tpt -60.74 -19.23 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -51.81 -29.9 21.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.71 109.82 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -66.25 -24.82 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.53 103.74 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -92.76 10.22 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 85' ' ' ILE . 18.0 tt0 -50.95 -46.07 60.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.29 -59.12 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -56.04 -47.07 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' GLU . 83.5 mt -51.22 -71.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -48.56 -39.87 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.0 tp10 -57.29 -39.94 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.95 -59.52 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -59.37 -22.04 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -79.7 -43.44 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -73.85 -24.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.703 ' CE1' HG11 ' A' ' 163' ' ' VAL . 21.0 m-85 -73.61 -38.86 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.56 84.22 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -59.81 -31.35 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -20.15 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.67 61.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.74 -20.4 63.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.45 9.95 30.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -152.1 135.87 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.788 HG21 HD13 ' A' ' 105' ' ' LEU . 75.4 mt -93.12 134.05 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -110.25 168.96 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.25 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.61 -71.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.4 pt-20 -57.04 -41.52 78.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 100' ' ' ILE . 5.3 tp -57.32 -59.01 5.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 121' ' ' VAL . 16.5 mmm-85 -54.26 -43.21 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.12 -31.04 72.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.2 t -70.99 -45.22 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.72 -19.84 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.6 m -86.29 -49.01 8.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 7.4 m120 -52.23 -34.65 46.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.577 ' CD2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.63 -30.19 59.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.82 20.55 7.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -88.96 96.35 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.88 138.17 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.1 pp -146.8 162.3 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 t -109.98 167.44 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -51.92 -40.3 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.66 -38.9 92.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.99 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.803 HG21 ' HD3' ' A' ' 106' ' ' ARG . 62.0 t -57.08 -42.0 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -62.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.33 -34.18 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ttt -53.9 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.93 -39.05 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.77 -29.36 68.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -90.3 -44.17 9.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.72 -12.79 61.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -110.67 109.38 19.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pt -72.6 -31.12 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -20.14 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.67 38.54 77.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.14 13.27 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.97 13.77 72.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -131.88 129.91 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.34 110.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.75 162.86 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 142' ' ' VAL . 81.6 t80 -65.3 -45.79 82.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.56 -49.4 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.14 -31.02 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.85 -46.38 67.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.3 m -71.06 -29.2 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.5 -21.78 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.715 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.8 tmm? -62.39 -22.36 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ptm -101.49 -3.9 27.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 142' ' ' VAL . 43.0 p -91.96 51.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.94 51.04 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -102.9 22.02 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -46.59 -35.11 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.2 p -104.75 -29.0 10.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -59.85 -177.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.56 33.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.99 -24.7 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 p -49.39 -67.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.18 -55.39 15.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.411 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.4 m95 -53.22 -34.8 58.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 161' ' ' LEU . 1.9 mmt-85 -66.48 -51.34 57.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -56.14 -54.21 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.476 HD11 HG11 ' A' ' 108' ' ' VAL . 5.4 tt -59.83 -44.75 94.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 159' ' ' ILE . 19.7 ttmm -61.08 -39.87 91.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -64.81 -46.87 80.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -59.36 -45.02 92.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.788 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.4 m -74.21 -25.11 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.27 -40.81 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -86.12 -28.03 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 162' ' ' ALA . . . -51.26 -30.72 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -130.15 99.65 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.36 127.86 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 25.4 tptp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -85.03 -21.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -45.99 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 161' ' ' LEU . 42.4 mt-10 -50.98 -48.25 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' A' ' 69' ' ' LEU . 5.3 m-85 -65.94 -44.7 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -51.13 -49.75 60.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -43.6 74.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.16 -37.3 61.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' HD11 ' A' ' 27' ' ' ILE . 4.1 t80 -81.9 -41.93 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 t -52.14 -49.98 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 162' ' ' ALA . 1.9 pp -70.58 -24.97 62.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.79 127.67 33.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.99 -22.04 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -20.21 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 50.3 69.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.15 -17.6 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 29.85 3.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 27' ' ' ILE . 4.5 t -163.21 161.53 24.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 111.18 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' C ' ' A' ' 26' ' ' THR . 1.6 mm -120.46 107.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -84.1 159.66 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.92 -36.61 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -53.8 -55.47 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.2 mt-10 -56.32 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -47.03 -46.59 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.92 -64.19 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.509 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.4 m -54.52 -32.31 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 31' ' ' GLU . 50.4 t -62.37 -55.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 2.7 mmt -62.13 -36.98 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -82.66 0.42 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.769 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -105.28 20.47 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.85 18.54 80.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -110.14 162.29 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -113.48 74.75 2.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.694 0.759 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.52 17.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -109.01 172.0 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.15 -41.29 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.69 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.22 -50.19 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 HD23 ' A' ' 32' ' ' LEU . 17.6 mt -61.9 -57.17 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -52.78 -48.09 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.64 -61.0 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.531 ' HG2' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -48.32 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 29' ' ' THR . 50.3 mm -51.02 -47.24 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -62.32 -24.68 67.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.08 -23.01 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 52' ' ' ILE . 20.6 m -114.51 23.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -149.43 100.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.62 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -36.77 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.24 42.78 11.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.563 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -91.42 -21.19 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 9.64 48.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.86 145.25 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 68' ' ' PHE . 3.1 mt -85.2 136.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' O ' HG22 ' A' ' 63' ' ' ILE . 2.3 t0 -80.34 -169.79 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -71.53 -60.87 2.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.61 -30.7 22.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.525 ' HB3' HG23 ' A' ' 63' ' ' ILE . 3.0 mt-10 -48.94 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 39.6 t80 -45.94 -43.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.808 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.3 mm? -55.1 -49.8 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 66' ' ' PRO . 15.7 p -60.44 -46.36 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -53.64 -55.72 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -64.04 -50.13 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -22.34 44.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -56.65 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.606 ' HZ3' ' N ' ' A' ' 169' ' ' LYS . 19.5 mttt -74.03 -17.42 60.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.2 ttp -57.02 -24.83 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.58 -31.04 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.43 100.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -51.93 -39.65 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.5 109.11 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -93.17 10.91 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.04 -41.77 94.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -55.43 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.82 -48.4 81.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.496 HG23 ' HE1' ' A' ' 141' ' ' PHE . 50.2 mt -52.51 -69.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -47.04 -51.23 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.655 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -52.36 -36.33 53.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.6 -60.4 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -20.03 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -81.8 -39.2 24.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.3 m -79.03 -24.16 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CE1' HG11 ' A' ' 163' ' ' VAL . 19.1 m-85 -71.21 -33.08 69.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.66 90.48 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -23.31 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -23.14 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.94 51.03 25.91 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -90.53 -11.86 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.99 0.8 30.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -147.64 167.5 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.634 HG21 HD13 ' A' ' 105' ' ' LEU . 96.5 mt -115.71 123.13 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -95.74 159.5 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -52.56 -29.64 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.81 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.2 mt-10 -59.33 -42.91 92.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.634 HD13 HG21 ' A' ' 100' ' ' ILE . 7.5 tp -66.73 -63.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.585 ' CB ' HG21 ' A' ' 121' ' ' VAL . 6.6 ptm180 -49.79 -34.0 18.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -76.07 -36.62 58.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 104' ' ' GLU . 4.1 t -64.18 -39.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtm -82.48 -38.58 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -67.15 -44.37 79.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -56.87 -31.14 64.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.18 -16.34 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.98 -5.27 30.55 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.09 101.06 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -66.08 121.27 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -127.54 160.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.569 HG22 ' OE2' ' A' ' 120' ' ' GLU . 7.3 t -110.13 163.76 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.51 -31.91 25.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.55 -43.77 96.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -59.28 -65.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.1 t -51.7 -47.98 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.68 -33.33 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -68.97 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.0 ptm -51.05 -42.08 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.411 HD11 HD22 ' A' ' 105' ' ' LEU . 22.2 mm -68.04 -40.53 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -63.77 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.3 -37.37 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -11.13 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -119.4 104.95 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.31 -43.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -20.38 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.11 36.41 92.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.42 10.88 20.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 13.94 76.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -133.46 130.01 38.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -93.08 114.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -90.05 164.74 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.516 ' O ' HG13 ' A' ' 142' ' ' VAL . 89.5 t80 -68.86 -46.02 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -48.82 -44.72 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -85.16 -33.18 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.7 t80 -51.61 -46.4 63.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 146' ' ' THR . 2.9 m -68.08 -29.36 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.51 -28.33 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.712 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 7.4 tmm? -65.44 -24.38 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.9 tpt -96.78 4.79 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 142' ' ' VAL . 34.8 p -107.68 50.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.56 51.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.7 21.83 8.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.7 t -46.38 -47.8 18.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.4 p -95.84 -27.95 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.11 33.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.3 -24.83 5.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 m -49.2 -69.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.02 -56.17 10.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -52.8 -34.88 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -51.72 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 92' ' ' PHE . 4.1 tt -55.58 -43.82 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 163' ' ' VAL . 13.0 ttpt -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.717 HD22 ' HB2' ' A' ' 15' ' ' ALA . 7.1 mt -71.36 -35.24 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -74.1 -42.01 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.769 HG12 ' HG ' ' A' ' 39' ' ' LEU . 21.1 m -72.55 -34.07 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -83.59 -30.41 27.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -81.77 -50.4 4.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -56.66 -32.33 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -109.11 110.17 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.86 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.606 ' N ' ' HZ3' ' A' ' 75' ' ' LYS . 14.9 tppt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.22 -23.3 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.14 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 161' ' ' LEU . 27.6 mt-10 -51.89 -52.68 48.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.477 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.6 m-85 -63.19 -44.39 95.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -50.73 -50.79 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.56 -51.09 60.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 72' ' ' MET . . . -49.64 -33.6 15.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -90.93 -26.06 19.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 t -63.78 -50.46 68.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pt? -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.41 138.97 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -83.95 -55.49 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -94.15 -21.06 19.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.74 49.63 67.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -79.4 -4.53 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.0 17.33 9.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.51 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -170.23 165.06 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.623 HG22 HD23 ' A' ' 32' ' ' LEU . 7.5 mt -131.63 127.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -90.03 161.96 15.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.482 ' HA ' HD11 ' A' ' 32' ' ' LEU . 7.8 p -48.32 -34.84 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.2 -58.14 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.6 mt-10 -51.31 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -52.56 -51.35 60.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.27 -55.29 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -65.82 -34.38 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 31' ' ' GLU . 77.1 t -60.06 -49.21 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -69.32 -47.82 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.8 -23.54 67.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -19.05 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.677 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -93.57 19.94 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -7.04 82.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.33 155.43 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -119.65 67.59 10.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.09 24.79 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -109.94 -179.3 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.38 -44.51 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.01 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.12 -59.19 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.8 -54.66 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.95 -38.48 62.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.25 -58.99 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.52 -59.03 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.735 HD11 ' CD2' ' A' ' 32' ' ' LEU . 33.5 mm -50.5 -60.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -57.32 -22.0 39.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -84.63 -25.3 28.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.7 m -119.68 25.96 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -134.88 105.18 6.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.79 -14.67 31.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -40.79 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 42.81 4.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.35 6.38 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.462 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.96 31.08 71.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -143.22 162.5 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 32' ' ' LEU . 5.4 mt -102.56 133.13 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.2 -172.2 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -71.16 -60.57 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.72 -29.93 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -51.57 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -48.92 -57.16 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' PHE . 3.6 mt -50.19 -43.5 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.8 m -59.14 -47.6 84.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -58.96 -48.0 83.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mtm -61.15 -59.44 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.24 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -56.83 -23.86 46.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -69.48 -11.26 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -27.27 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.13 -30.65 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -77.14 150.06 35.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.86 -45.85 3.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -64.19 132.6 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -99.91 -22.25 15.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.45 -38.76 45.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -56.49 -57.94 10.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.35 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.53 HG21 HG12 ' A' ' 142' ' ' VAL . 46.0 mm -49.5 -70.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -45.58 -46.07 14.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 91' ' ' VAL . 50.7 tp10 -53.17 -41.84 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.41 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.39 -21.52 36.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -78.87 -44.54 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.0 m -74.04 -23.7 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.1 m-85 -74.2 -38.89 63.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.58 90.76 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.94 -48.34 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -20.74 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.81 34.67 90.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -69.95 -19.94 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.96 16.17 11.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -154.51 133.18 12.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.737 HG21 HD13 ' A' ' 105' ' ' LEU . 81.3 mt -97.57 115.68 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -93.65 164.07 13.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.99 -30.21 33.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.81 -56.97 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.6 mt-10 -58.31 -42.14 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -67.11 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -29.75 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.3 -43.6 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.0 t -61.44 -42.09 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtm -75.22 -46.61 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 m -62.11 -29.07 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.68 -20.48 56.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.39 -16.65 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.0 tp10 -57.47 109.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 112.68 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 120' ' ' GLU . 3.1 mp -112.34 155.21 24.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.7 p -107.18 161.51 14.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -51.5 -36.38 44.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.18 -45.83 91.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.517 ' CG ' HD23 ' A' ' 116' ' ' LEU . 11.9 tp10 -52.75 -68.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.55 -38.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.47 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -56.03 -35.49 66.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.471 ' HE3' ' CE2' ' A' ' 156' ' ' TRP . 17.3 mmm -53.52 -58.82 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 105' ' ' LEU . 28.3 mm -67.12 -32.88 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -64.5 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -86.72 -41.88 13.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.96 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -97.2 98.97 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -13.47 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.92 -20.63 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.82 48.53 75.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -100.19 -7.9 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.02 8.57 61.56 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.75 132.71 29.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -90.22 132.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.48 166.51 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG13 ' A' ' 142' ' ' VAL . 37.6 t80 -64.77 -43.8 92.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 142' ' ' VAL . 11.9 mt-10 -49.02 -53.52 19.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.16 -30.13 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 62.4 t80 -52.76 -48.74 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 HG21 ' A' ' 85' ' ' ILE . 3.2 m -65.8 -25.41 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.91 -22.08 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.442 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.6 mpp? -64.36 -14.47 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.5 ttp -110.38 10.89 23.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.3 p -120.38 47.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.66 51.12 1.44 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -95.42 21.15 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.7 p -49.24 -49.97 40.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.9 p -82.93 -14.22 54.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.577 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.63 -177.37 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.75 33.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.91 -24.4 6.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.9 m -52.43 -67.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.58 -43.8 53.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' TRP . . . . . 0.701 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 97.1 m95 -64.25 -29.96 71.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -71.74 -52.47 17.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.19 -48.54 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.3 tt -63.11 -43.94 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.482 ' N ' HG23 ' A' ' 159' ' ' ILE . 11.5 tmtt? -66.23 -38.75 88.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 11' ' ' GLU . 7.1 mt -64.6 -43.07 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.825 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -66.15 -53.53 36.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.677 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -59.62 -34.39 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -77.09 -38.3 52.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.52 97.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.436 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -53.36 -27.55 24.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.735 0.302 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -90.22 72.28 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 175.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.47 -21.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.15 52.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -53.42 -47.88 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.0 -45.36 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -51.22 -51.21 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.6 tp10 -72.5 -39.24 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.48 -38.35 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -85.99 -42.99 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 p -51.24 -45.76 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.2 pp -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -70.02 -69.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -78.72 114.91 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -89.73 -24.24 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -20.05 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 48.49 65.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -98.04 -20.5 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 27.6 5.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -170.18 165.04 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.487 HG22 HD23 ' A' ' 32' ' ' LEU . 3.5 mp -132.34 127.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -98.35 168.0 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.404 ' HA ' HD21 ' A' ' 32' ' ' LEU . 7.0 p -51.14 -32.16 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -54.95 40.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -54.53 -68.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -49.4 -39.76 33.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.46 -56.16 24.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 -31.68 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.3 t -63.75 -41.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.618 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 73.9 mtm -79.77 -36.56 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -27.51 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -78.52 -3.26 42.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.782 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -97.8 20.0 12.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 18.24 75.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -110.51 165.0 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -119.07 71.53 11.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.708 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.11 41.66 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.753 2.302 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -110.09 170.11 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.19 -36.93 53.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -56.78 -46.76 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 32' ' ' LEU . 13.8 mt -62.59 -60.47 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -51.76 -40.23 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -60.91 -58.35 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtt -51.21 -55.63 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.808 HD11 HD21 ' A' ' 32' ' ' LEU . 47.9 mm -50.56 -58.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.27 -21.75 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -83.52 -25.35 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.574 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -112.31 24.79 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.51 117.82 32.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.63 -16.88 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -40.03 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.73 50.33 2.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.36 -20.19 13.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 30.16 9.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 p -141.74 154.67 45.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.151 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 55' ' ' VAL . 4.4 mt -98.58 122.45 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -173.04 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.99 -59.78 4.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.81 -31.58 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -51.2 -64.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -51.3 -49.82 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -47.66 50.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.6 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttp -57.57 -57.75 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.85 -29.43 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.12 -26.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -55.0 -26.09 34.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -36.67 49.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.3 tpp -52.5 -29.58 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -37.49 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -64.0 147.39 52.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -54.49 -34.31 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -153.26 173.73 15.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -92.17 6.21 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.68 -46.43 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -49.92 -56.41 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.33 -48.26 79.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.427 HD11 ' CE ' ' A' ' 145' ' ' MET . 91.6 mt -51.35 -70.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -48.64 -40.16 26.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.647 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 mm-40 -57.65 -39.5 77.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.92 -60.55 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.27 -22.54 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -78.96 -41.88 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 87' ' ' GLU . 30.1 m -76.09 -23.47 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-30 -72.4 -47.79 46.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.82 90.23 2.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -55.99 -34.04 65.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.73 -20.42 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.78 28.08 67.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -69.91 -15.99 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.2 6.98 27.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -148.65 149.63 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 105' ' ' LEU . 86.3 mt -105.73 123.98 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -94.7 161.96 13.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.07 -37.83 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.6 -59.57 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -51.97 -60.35 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 4.6 tp -50.64 -51.95 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.687 ' O ' HG23 ' A' ' 110' ' ' THR . 15.4 mtm180 -51.17 -55.72 16.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -53.93 -39.29 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.8 t -62.71 -42.85 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -71.28 -48.83 48.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.1 p -61.67 -46.86 87.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -50.29 -55.99 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -59.7 -21.07 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.55 27.46 10.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 99.75 12.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -51.89 117.14 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 145.67 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.4 p -104.15 166.15 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -51.78 -42.94 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.06 -44.49 96.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -51.8 -70.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.653 HG21 ' HG2' ' A' ' 106' ' ' ARG . 85.8 t -53.45 -45.25 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.91 -54.78 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.27 -42.89 96.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.569 ' CE ' HD21 ' A' ' 105' ' ' LEU . 2.9 ttt -51.76 -56.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.6 mm -65.36 -34.39 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -29.28 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -89.66 -39.3 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.95 -18.52 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -111.94 102.52 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.71 -43.61 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -20.45 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.75 93.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.92 9.07 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.93 79.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.44 133.29 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.12 118.07 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -91.67 162.89 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.622 ' O ' HG13 ' A' ' 142' ' ' VAL . 79.4 t80 -65.63 -46.0 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.496 ' O ' HG22 ' A' ' 142' ' ' VAL . 24.4 tt0 -48.96 -48.46 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.09 -27.75 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 43.6 t80 -58.33 -38.86 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.0 m -72.58 -24.95 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.68 -19.85 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.72 -17.59 49.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.427 ' CE ' HD11 ' A' ' 85' ' ' ILE . 1.5 ptm -110.36 11.12 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.2 p -109.74 28.82 8.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.51 51.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.13 21.61 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 m -48.48 -50.19 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -15.72 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.609 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -83.51 -177.05 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.3 33.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.58 -26.08 5.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.8 m -49.45 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.541 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.64 -54.42 21.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.2 m95 -53.62 -33.84 56.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -54.15 21.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.559 ' HG2' HD22 ' A' ' 18' ' ' LEU . 18.1 tttt -54.36 -54.71 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.1 tt -59.04 -43.89 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.8 ttmt -61.71 -41.01 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.719 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.8 mt -64.52 -44.09 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.68 -46.12 91.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.782 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.7 m -73.98 -23.91 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -78.21 -40.66 36.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -83.76 -30.46 29.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.94 -30.16 23.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.713 0.292 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -95.42 176.72 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.5 -21.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.46 -47.88 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' ' 161' ' ' LEU . 2.4 tt0 -51.53 -53.89 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.32 -51.45 68.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -50.36 -44.12 54.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.36 -45.73 82.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.059 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -59.24 -32.46 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -75.47 -61.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.67 -18.05 57.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.56 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.8 t80 -87.62 -40.52 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.95 93.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -90.43 -19.32 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -20.49 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.75 50.36 54.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.2 -20.53 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.48 21.07 25.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -149.74 164.55 34.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 32' ' ' LEU . 11.0 mt -131.49 136.15 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -100.13 165.76 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.498 HG23 HG13 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -53.3 -41.08 65.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.1 mt-10 -55.21 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -50.16 -45.3 53.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -64.55 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -55.14 -38.84 68.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.143 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.8 t -55.98 -45.59 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 19.0 mtt -68.93 -44.59 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -64.53 -24.03 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.69 ' HB3' HD12 ' A' ' 112' ' ' LEU . 68.3 m -60.22 -20.05 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -95.87 20.04 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 -4.31 79.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.523 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 159.1 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.731 0.301 . . . . 0.0 110.937 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.0 72.16 5.91 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 129.51 17.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -110.54 -179.75 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.65 -32.92 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -45.12 77.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.06 -54.71 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 32' ' ' LEU . 12.8 mt -60.02 -56.13 25.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.54 -40.29 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.14 -59.57 5.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 0.4 OUTLIER -51.44 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 32' ' ' LEU . 48.0 mm -51.09 -58.48 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.59 -22.24 43.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -86.08 -24.74 26.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 63' ' ' ILE . 6.0 m -118.97 27.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -139.5 104.9 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.83 -14.89 30.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.91 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.77 44.69 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -109.76 6.01 23.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.528 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.82 30.44 69.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.0 p -139.57 156.04 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 HG21 ' A' ' 55' ' ' VAL . 2.6 mt -102.62 117.36 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.91 179.16 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.634 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.9 t80 -66.88 -56.64 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -32.04 19.26 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.8 -65.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.29 -50.14 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -50.6 -41.17 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.3 m -68.47 -44.3 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -55.9 -44.49 78.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 mtp -76.92 -52.5 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.67 -28.22 8.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -54.08 -26.18 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -18.33 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.9 ttp -50.53 -30.96 14.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -52.34 -29.39 23.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.23 117.98 22.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -74.06 -9.81 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.81 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 p -99.34 -21.32 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.06 -40.04 57.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.47 -60.16 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -55.65 -55.09 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 141' ' ' PHE . 80.3 mt -49.89 -70.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -46.38 21.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.7 mm-40 -53.31 -39.15 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.17 -61.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.18 -20.03 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -81.48 -40.5 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.7 m -77.97 -23.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.7 m-85 -76.06 -26.77 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.45 90.67 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.26 -20.36 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.24 35.43 90.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -69.8 -20.2 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.31 15.69 16.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.424 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -154.09 129.82 10.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.766 HG21 HD13 ' A' ' 105' ' ' LEU . 77.1 mt -90.24 116.91 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -95.3 170.17 9.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.57 -33.31 71.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.63 -63.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.1 mt-10 -51.08 -58.1 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 100' ' ' ILE . 3.9 tp -52.03 -47.76 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -52.1 -51.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.65 -34.9 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 159' ' ' ILE . 91.4 t -62.15 -46.49 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.6 mmt -79.45 -23.98 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -76.01 -43.91 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -43.63 63.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 38' ' ' SER . 0.4 OUTLIER -64.1 -28.6 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.89 -19.59 27.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -54.92 112.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -68.37 115.8 8.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -118.49 150.3 39.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.59 164.08 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.64 -37.67 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.88 -40.54 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.82 -69.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.51 -46.22 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.23 -31.11 69.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 41.4 tt0 -73.86 -62.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.489 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.3 ptm -51.05 -38.18 49.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.451 HD11 HD22 ' A' ' 105' ' ' LEU . 28.1 mm -72.13 -50.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -56.95 -28.7 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -90.24 -33.49 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.74 -1.6 51.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -119.66 106.74 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 140' ' ' GLU . 28.7 mt -64.03 -45.45 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -20.51 58.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.39 37.92 86.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.29 12.19 21.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.77 11.83 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.74 129.65 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.44 134.3 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -110.28 -179.33 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.26 -58.03 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -50.64 -32.6 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 130' ' ' ILE . 18.7 mt-10 -85.52 -30.57 23.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.593 ' HE1' HG23 ' A' ' 85' ' ' ILE . 49.9 t80 -64.34 -42.81 96.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.71 -26.03 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.9 -19.99 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -62.43 -16.67 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.7 ttm -110.8 10.88 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 p -113.38 50.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.77 51.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.18 21.2 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 11.0 p -49.19 -50.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.2 p -94.17 21.04 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -109.62 -177.63 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.67 32.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.73 -25.11 6.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -66.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.795 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.17 -52.52 31.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.416 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.0 m95 -55.55 -34.74 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -49.69 63.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -55.45 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 108' ' ' VAL . 5.3 tt -57.99 -43.75 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 159' ' ' ILE . 22.8 ttmt -64.58 -36.52 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.059 HD22 ' HB2' ' A' ' 15' ' ' ALA . 2.7 mt -66.26 -43.99 84.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.88 -49.93 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.661 HG12 ' CD1' ' A' ' 39' ' ' LEU . 21.8 m -64.97 -32.56 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -71.94 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -61.41 -29.66 72.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.07 -37.69 47.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -75.85 138.8 41.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.563 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.8 mt -78.57 -21.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -42.37 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -52.03 -56.03 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CG ' HD11 ' A' ' 69' ' ' LEU . 26.9 m-85 -60.51 -42.66 96.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -51.38 -53.76 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.03 -45.9 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.065 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -54.39 -37.64 65.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -74.78 -46.18 38.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -52.96 -49.94 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 15' ' ' ALA . 2.7 pp -68.87 -13.33 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -87.14 120.15 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.93 -21.23 22.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.7 -20.39 22.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.07 46.79 76.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.82 -20.01 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.35 23.74 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -168.89 163.78 11.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.604 HG23 ' CB ' ' A' ' 31' ' ' GLU . 4.7 mt -132.32 131.5 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 30' ' ' LYS . 15.3 t -97.11 167.92 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.438 ' HA ' HD21 ' A' ' 32' ' ' LEU . 8.0 p -50.43 -32.03 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' H ' HG23 ' A' ' 28' ' ' THR . 56.3 tttt -60.73 -58.07 10.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' CB ' HG23 ' A' ' 27' ' ' ILE . 3.2 mt-10 -53.48 -67.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -50.33 -36.33 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.33 -65.34 3.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.452 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 t -60.05 -41.01 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 112' ' ' LEU . 75.8 t -58.2 -46.72 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.4 ttp -68.1 -36.25 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.42 -23.21 60.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.0 m -60.95 -17.81 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HG ' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -93.37 20.23 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.25 82.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -92.51 154.51 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.74 73.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.91 18.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 p -111.08 179.37 4.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -52.21 -35.94 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.72 74.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.87 -57.62 11.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 21.6 mt -57.25 -50.16 73.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.33 -46.22 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.3 -60.18 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.42 -60.3 2.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 32' ' ' LEU . 39.2 mm -51.91 -55.49 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.89 -25.25 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -89.59 -20.27 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.598 HG21 HD12 ' A' ' 63' ' ' ILE . 15.4 m -118.79 30.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -144.17 106.31 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.28 29.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -40.81 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.15 47.27 3.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.18 11.99 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 60.52 30.66 72.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -150.73 163.46 38.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 55' ' ' VAL . 13.5 tt -116.7 143.01 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -91.32 -176.1 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.82 -58.52 5.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.734 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.6 Cg_endo -69.77 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HA ' HD11 ' A' ' 63' ' ' ILE . 4.7 t80 -62.75 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.93 -27.05 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -78.69 -49.75 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.402 ' CB ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.59 -19.89 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 ttp -88.98 -56.62 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.6 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -54.38 -28.86 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.54 -24.6 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -25.94 40.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -52.05 -30.06 23.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.88 141.13 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -100.42 9.99 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -108.83 112.51 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.4 m -97.85 -19.21 18.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -54.73 -34.56 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -57.89 -62.0 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.71 -46.47 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' HE1' ' A' ' 141' ' ' PHE . 28.4 mm -52.41 -71.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -48.89 -45.23 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.65 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.4 mm-40 -54.66 -36.71 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.17 -60.79 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -20.68 58.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -80.79 -41.21 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.6 m -76.37 -25.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.5 m-85 -73.82 -32.85 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -87.93 90.47 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.12 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.12 -20.55 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.9 36.02 90.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -69.88 -20.12 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.04 13.66 20.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -153.67 129.6 10.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.733 HG21 HD13 ' A' ' 105' ' ' LEU . 98.0 mt -89.97 123.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 t -101.05 172.86 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -28.13 68.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -57.57 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 108' ' ' VAL . 37.0 mt-10 -58.47 -44.58 89.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 100' ' ' ILE . 2.6 tp -64.13 -63.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.73 -31.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -73.85 -39.47 63.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.0 t -65.36 -41.33 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -48.96 27.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.6 m -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -55.94 -34.24 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.577 HD11 HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -62.99 -21.4 66.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.2 -18.35 28.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.44 135.56 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -92.67 128.4 38.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.6 OUTLIER -114.61 164.81 13.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -110.03 162.15 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -51.9 -37.65 53.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -62.13 -37.68 86.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.04 -69.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.15 -46.31 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.14 -33.83 72.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.53 -62.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 11.5 ptm -51.58 -37.12 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 105' ' ' LEU . 21.8 mm -71.99 -42.9 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -63.34 -30.6 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.42 -30.59 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.92 -5.63 59.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -120.13 107.26 12.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.7 mt -62.74 -46.56 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -20.5 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.57 90.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.5 11.04 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.07 86.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -127.33 129.79 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.77 132.19 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -110.44 -177.3 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.22 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -50.78 -31.47 17.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 130' ' ' ILE . 17.9 mt-10 -87.5 -31.62 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 85' ' ' ILE . 43.2 t80 -62.73 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 m -67.11 -25.37 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.65 -20.89 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -61.03 -17.74 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.7 ttp -108.76 10.48 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.4 p -111.79 49.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.45 50.9 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.86 21.31 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.2 t -49.53 -49.75 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.7 p -85.16 -11.28 55.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -77.88 -177.72 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -89.46 33.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.16 -26.15 4.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.434 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 m -49.97 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.682 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.77 -51.43 39.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.47 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 90.2 m95 -57.6 -29.84 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -48.44 55.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.6 tt -64.58 -43.95 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 159' ' ' ILE . 31.2 ttpt -61.86 -38.39 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.065 HD23 ' HB2' ' A' ' 15' ' ' ALA . 1.1 mp -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' HG ' ' A' ' 39' ' ' LEU . 18.7 m -74.4 -30.64 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -74.51 -42.05 59.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.86 -32.59 36.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -50.71 -39.61 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -105.84 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.786 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.59 -23.2 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -45.39 62.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.99 -68.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.31 -42.52 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -51.49 -46.67 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CD ' HD23 ' A' ' 18' ' ' LEU . 2.8 tm-20 -71.91 -38.92 69.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.058 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -56.1 -40.09 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.67 -43.53 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 t -51.11 -47.58 61.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -70.09 -38.52 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -110.24 95.04 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -73.35 -25.15 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.91 -20.15 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.73 50.0 55.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.92 -20.25 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 29.67 6.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -169.44 162.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 32' ' ' LEU . 6.9 mt -130.66 122.27 52.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -96.39 168.95 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.499 HG23 HG13 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -54.25 -38.31 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -58.6 -46.12 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 tt0 -58.63 -68.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -51.46 -43.3 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.05 -57.2 15.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 m -63.18 -31.49 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.9 t -60.66 -53.89 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.576 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 21.2 ptp -72.84 -29.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.36 -29.35 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -81.83 0.31 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.682 ' CD2' HG12 ' A' ' 163' ' ' VAL . 1.3 mp -94.17 17.49 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.08 17.21 79.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.54 170.7 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -116.55 77.24 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 140.07 42.04 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.745 2.296 . . . . 0.0 112.384 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -110.37 174.05 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.65 -39.62 92.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.61 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.8 -50.5 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.562 HD22 HD12 ' A' ' 32' ' ' LEU . 13.1 mt -61.75 -58.22 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.22 -39.38 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -61.66 -58.87 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.487 ' CE ' ' HB2' ' A' ' 168' ' ' ALA . 3.2 tpt -50.99 -54.78 21.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 32' ' ' LEU . 39.0 mm -51.31 -58.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.76 -20.69 61.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.41 -23.71 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.3 22.71 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -135.22 100.76 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -18.31 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.74 16.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.54 47.52 21.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -92.92 -20.89 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.94 11.63 36.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.16 150.83 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' HD13 ' A' ' 52' ' ' ILE . 2.0 mt -93.36 135.13 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.79 179.07 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.62 -56.82 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.3 Cg_endo -69.82 -30.78 21.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.43 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -50.61 -50.78 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -41.04 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -66.11 -47.59 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.69 -50.82 67.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttp -68.08 -50.47 54.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.53 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -53.15 -28.54 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -58.07 -27.56 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.55 -31.06 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -32.36 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.39 132.64 40.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 m -88.01 -39.74 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -58.06 109.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -97.0 7.36 46.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.5 -40.89 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -59.89 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -53.48 56.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.72 -70.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.25 -43.69 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.1 tm-20 -55.07 -40.2 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -64.3 -60.88 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -59.64 -20.89 59.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -80.38 -40.15 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.1 m -78.02 -23.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.2 m-85 -79.18 -21.15 46.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.98 91.24 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -48.7 -63.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.36 -20.33 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.03 36.4 92.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.99 -17.35 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.15 12.93 16.61 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -153.34 130.72 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 105' ' ' LEU . 96.1 mt -89.61 122.56 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -94.92 164.36 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.64 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.4 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.4 mt-10 -54.11 -62.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.677 HD13 HG21 ' A' ' 100' ' ' ILE . 4.4 tp -51.97 -39.71 59.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.714 ' CD ' HG21 ' A' ' 121' ' ' VAL . 5.3 mmm180 -56.4 -56.12 25.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -65.73 -25.42 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.9 t -66.73 -47.54 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mtt -86.29 -19.6 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.3 m -81.87 -46.38 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.072 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -56.21 -32.65 64.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -21.19 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 -18.2 28.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.01 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -62.35 113.12 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -121.0 158.51 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.19 164.54 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -51.36 -32.84 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.12 -40.06 95.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.61 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.714 HG21 ' CD ' ' A' ' 106' ' ' ARG . 98.7 t -53.0 -47.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.16 -33.84 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.54 -62.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.493 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 8.7 ptm -52.41 -42.15 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.14 -35.73 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -68.01 -33.08 73.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -87.28 -30.42 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.19 -25.31 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.87 99.55 10.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.0 mt -65.64 -37.02 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -20.79 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.76 40.54 85.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.3 10.92 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.89 77.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.52 134.1 33.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.9 t -92.79 135.79 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -110.12 164.11 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.1 t80 -65.21 -47.06 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 142' ' ' VAL . 45.1 mm-40 -48.32 -51.83 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.15 -30.52 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.2 -48.36 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.2 m -66.8 -22.49 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -62.91 -20.17 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -61.23 -17.45 53.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.8 mtm -109.89 11.06 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.2 p -111.08 32.42 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 109.41 51.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.98 21.04 7.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.6 t -48.76 -50.37 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.8 t -82.55 -15.54 51.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.44 -176.73 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.11 33.44 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.17 -26.11 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 22.8 t -49.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.505 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.22 -55.05 17.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -53.53 -33.12 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . 0.439 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -68.1 -53.41 25.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.677 ' HG3' HD22 ' A' ' 18' ' ' LEU . 19.8 ttpt -55.12 -54.03 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.57 HD11 HG11 ' A' ' 108' ' ' VAL . 4.8 tt -59.56 -44.19 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 159' ' ' ILE . 27.1 tptp -61.12 -42.78 99.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.058 HD23 ' HB2' ' A' ' 15' ' ' ALA . 6.5 mp -63.86 -41.86 97.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.8 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.682 HG12 ' CD2' ' A' ' 39' ' ' LEU . 20.2 m -74.67 -23.81 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -82.32 -26.39 33.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -90.29 -41.17 5.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.54 -39.46 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.74 151.96 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.487 ' HB2' ' CE ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.34 -24.38 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.22 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -51.51 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.18 -42.13 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -51.32 -51.47 54.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.9 tm-20 -72.8 -33.97 66.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.04 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.99 -40.9 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.662 ' CD1' HD11 ' A' ' 27' ' ' ILE . 5.5 t80 -85.61 -42.81 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -50.73 -47.43 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pp -67.14 -28.94 68.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -60.14 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.08 111.42 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -69.52 -25.85 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.14 -20.5 11.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 50.26 61.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -81.26 -6.61 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.88 17.37 9.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -170.23 163.43 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.078 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 16' ' ' PHE . 9.1 mt -125.37 124.19 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -93.74 167.78 11.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' HD21 ' A' ' 32' ' ' LEU . 12.5 p -53.26 -31.8 45.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -59.32 -54.93 41.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -55.18 -68.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -50.15 -36.09 28.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.4 -62.91 5.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -63.63 -37.88 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.8 t -63.24 -37.38 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.676 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.5 ttp -73.22 -46.46 50.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -19.9 62.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.499 ' CB ' HD12 ' A' ' 112' ' ' LEU . 3.6 m -57.58 -22.29 44.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.694 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -94.51 20.49 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.59 18.16 62.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -91.85 162.95 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.65 67.44 49.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.39 21.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -110.74 179.74 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -51.77 -41.72 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.57 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.45 -59.52 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.636 HD22 HD12 ' A' ' 32' ' ' LEU . 23.2 mt -54.72 -54.46 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -55.19 -42.61 73.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.32 -59.96 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mtt -51.82 -57.7 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.753 HD11 HD21 ' A' ' 32' ' ' LEU . 47.0 mm -50.85 -59.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -57.49 -23.56 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -84.38 -23.84 29.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 63' ' ' ILE . 6.1 m -116.69 25.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.93 103.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.47 -20.67 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -110.41 -40.21 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.65 50.61 2.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -103.01 -20.13 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.48 9.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 p -142.86 178.87 7.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 55' ' ' VAL . 4.0 mt -116.41 134.31 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -91.71 -175.51 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -68.28 -59.72 5.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.74 -32.0 19.5 Favored 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.747 2.298 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -51.07 -66.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.49 -49.7 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -39.51 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.7 m -69.51 -46.6 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -54.62 -44.45 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 ttp -75.86 -49.85 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.29 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -55.37 -30.5 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -24.67 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -28.43 26.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -51.84 -30.17 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -58.57 -178.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -97.5 -69.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -102.98 159.6 15.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -99.21 10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.77 -42.07 45.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.19 -56.66 14.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -58.19 -52.92 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 mm -49.36 -71.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -47.63 -45.77 28.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 mt-10 -53.11 -38.66 62.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.48 -61.27 2.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -59.96 -19.91 54.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -81.79 -38.32 25.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 87' ' ' GLU . 29.1 m -80.49 -23.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -72.38 -46.24 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.31 90.59 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -50.06 -57.29 7.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -20.43 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.09 34.18 88.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.77 -19.53 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.26 15.85 11.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -154.59 129.88 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 105' ' ' LEU . 76.9 mt -92.24 120.04 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -95.18 -179.89 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -71.84 -30.0 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.55 -58.88 5.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.5 mt-10 -58.87 -41.13 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 100' ' ' ILE . 10.9 tp -65.74 -63.18 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -51.6 -31.86 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -75.34 -37.91 60.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 104' ' ' GLU . 20.7 t -65.44 -42.14 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.0 mtm -76.74 -43.86 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 m -65.01 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.72 -34.45 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.534 HD11 HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.63 -13.45 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.01 -14.28 31.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.42 157.74 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -116.78 156.61 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -159.08 158.14 32.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -111.23 170.26 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 117' ' ' THR . 83.7 m-20 -51.99 -38.15 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.27 -39.54 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -58.31 -70.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.61 HG11 ' HB1' ' A' ' 102' ' ' ALA . 15.5 t -51.41 -47.69 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.7 -63.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.621 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 13.6 ptm -50.72 -40.22 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -68.02 -47.53 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.64 -34.35 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -29.49 26.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.59 8.98 25.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -120.45 122.97 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.43 -42.63 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.5 -20.46 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.81 50.45 24.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.66 -15.95 16.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.13 4.71 29.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -119.8 129.47 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.81 122.92 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -105.26 -170.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -71.09 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.44 -28.61 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.4 -27.63 21.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -71.44 -42.27 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.37 -26.37 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.53 -21.7 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -63.17 -15.8 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.53 10.84 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.4 p -113.66 48.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.73 50.8 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.42 20.95 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.6 p -49.17 -50.41 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -83.62 -12.35 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.628 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.52 -177.64 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.78 33.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.28 -26.91 5.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 42.3 m -49.58 -65.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.434 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.23 -55.31 16.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -53.19 -35.22 59.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.49 -50.2 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -57.74 -55.25 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 163' ' ' VAL . 4.8 tt -57.69 -42.89 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 159' ' ' ILE . 23.2 mtpp -65.04 -38.98 92.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.04 HD22 ' HB2' ' A' ' 15' ' ' ALA . 36.1 mt -65.57 -39.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -67.85 -50.27 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.2 m -66.0 -29.77 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -73.22 -56.81 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.09 -24.83 74.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -51.23 -31.96 22.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -102.76 177.48 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.18 -22.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.82 -49.7 58.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.17 -49.64 51.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CG ' HD11 ' A' ' 69' ' ' LEU . 9.7 m-85 -61.53 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -51.75 -45.85 63.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.6 mp0 -69.49 -38.5 77.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -57.25 -45.71 83.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.42 -44.08 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -51.46 -49.73 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -74.3 -17.34 60.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -136.43 144.23 44.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -90.6 0.93 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -21.05 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.11 48.89 38.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.415 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.38 -20.09 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.4 15.94 59.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 2.8 mp -134.35 124.32 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 165.91 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -52.8 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -49.14 -31.34 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.3 tt0 -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.29 -29.91 66.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.81 5.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.43 -43.62 93.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 31' ' ' GLU . 68.7 t -54.14 -50.82 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.6 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 8.6 ttp -65.35 -45.0 85.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.47 -23.47 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.791 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -17.76 58.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.694 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -94.27 19.83 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.31 85.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -69.17 174.98 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -145.42 68.61 13.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.566 0.698 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.95 61.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -109.99 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.11 -49.33 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.61 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -58.28 -56.16 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.25 -57.46 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -52.17 -41.79 62.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.34 -60.18 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttt -49.9 -56.61 9.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 29' ' ' THR . 35.1 mm -49.37 -62.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -56.02 -23.65 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -83.19 -23.79 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.61 22.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -131.1 96.21 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -16.85 61.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -23.89 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.77 48.05 87.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -82.91 -19.75 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.31 8.12 25.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -147.31 169.45 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 52' ' ' ILE . 1.3 mt -100.97 121.59 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.18 175.44 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.26 -56.54 12.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.83 -31.99 19.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -51.11 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -54.63 -39.42 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -62.99 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.2 m -78.92 -47.1 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -19.9 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -89.93 -56.75 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.64 34.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -54.11 -27.4 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.84 -21.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -51.74 -30.21 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -52.33 -29.82 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -94.64 101.54 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.9 p -64.92 -25.04 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.78 98.29 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -92.84 10.09 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -60.43 -33.36 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.807 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -59.67 -60.91 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.46 -47.82 84.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.426 HG23 ' HE1' ' A' ' 141' ' ' PHE . 71.9 mt -53.63 -70.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -46.98 -49.11 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 91' ' ' VAL . 16.5 tp10 -53.59 -37.23 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.08 -60.92 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -21.52 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -80.06 -41.73 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -76.59 -23.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.571 ' HE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-85 -72.55 -45.71 57.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -71.94 90.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.812 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -50.65 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -22.35 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.97 48.39 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.71 -14.08 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.53 8.76 24.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -152.46 147.56 26.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 105' ' ' LEU . 84.0 mt -103.18 113.24 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -92.27 167.4 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.56 63.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.78 -67.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 108' ' ' VAL . 69.5 mt-10 -51.57 -50.96 59.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 100' ' ' ILE . 5.6 tp -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -55.68 -51.26 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -62.6 -32.19 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.6 t -63.84 -58.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.85 -37.91 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.3 m -66.0 -32.7 74.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -47.98 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.426 HD21 HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.87 -18.94 28.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 152.06 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -113.4 124.71 53.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.5 pp -127.95 165.57 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -110.58 163.81 13.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -51.55 -36.46 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -39.17 93.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -57.39 -68.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.79 -48.09 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.23 -30.12 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 79.1 tt0 -74.33 -61.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.56 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.9 ptm -52.09 -33.69 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 105' ' ' LEU . 23.9 mm -78.07 -43.0 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -62.4 -28.35 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.58 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -103.83 102.91 12.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.13 -34.63 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.59 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.84 37.9 75.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.51 15.35 14.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.4 16.03 68.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -134.59 135.51 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.5 116.31 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -91.06 164.03 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.439 ' O ' HG13 ' A' ' 142' ' ' VAL . 68.4 t80 -65.12 -46.35 81.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 142' ' ' VAL . 25.0 mm-40 -48.36 -51.46 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.83 -29.21 44.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.426 ' HE1' HG23 ' A' ' 85' ' ' ILE . 42.3 t80 -54.18 -47.99 71.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.4 m -65.1 -24.13 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -60.07 -20.43 58.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.74 -16.13 56.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 ttp -110.2 11.09 23.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -114.14 40.99 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.48 50.88 1.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.58 21.07 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -50.33 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.2 t -81.06 -12.88 59.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.612 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -82.99 -177.26 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.54 33.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.85 -25.37 4.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 m -49.89 -67.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.789 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.53 -55.88 12.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.517 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.1 m95 -52.35 -36.96 54.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.62 -49.98 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 18' ' ' LEU . 46.1 mtpt -58.47 -58.64 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 108' ' ' VAL . 4.6 tt -53.55 -42.94 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 159' ' ' ILE . 32.2 ttpt -65.11 -44.36 89.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -62.57 -31.86 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.24 -53.77 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' HG ' ' A' ' 39' ' ' LEU . 16.7 m -62.28 -30.31 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -83.44 -60.12 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.61 53.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.6 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -50.54 -40.04 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.74 137.21 41.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.09 -23.55 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.21 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -53.41 -56.55 15.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.93 -47.55 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -50.83 -46.3 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -74.69 -37.07 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.076 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.04 -42.83 73.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -84.06 -45.41 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -51.99 -38.13 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 158' ' ' LYS . 1.2 pp -76.3 -27.85 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.3 128.87 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -90.03 -24.18 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.02 -21.06 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 36.99 93.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.419 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 p30 -77.71 -12.73 60.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.12 19.02 8.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.525 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 t -167.89 169.0 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 111.157 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -131.32 122.11 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -89.9 168.12 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.97 -41.91 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.95 -58.35 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 mt-10 -51.66 -64.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 51' ' ' MET . 0.4 OUTLIER -48.9 -40.94 31.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.87 -66.97 2.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.8 t -54.82 -36.61 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' GLU . 53.8 t -59.68 -56.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.63 ' HG3' ' HB1' ' A' ' 166' ' ' ALA . 7.5 ttm -58.49 -41.7 85.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt-85 -69.89 -24.65 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 112' ' ' LEU . 2.3 p -58.1 -20.44 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.742 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -97.37 20.15 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.48 -8.21 75.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -65.07 158.14 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.81 70.16 13.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.21 19.01 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.677 2.252 . . . . 0.0 112.354 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -110.26 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -48.58 -49.12 37.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.18 79.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.72 -56.21 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 29' ' ' THR . 31.1 mt -53.63 -59.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -54.59 -36.36 64.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.07 -62.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 4.5 tpp -51.38 -56.78 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.651 HG13 HG23 ' A' ' 29' ' ' THR . 34.0 mm -50.57 -62.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -56.43 -22.71 33.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.15 -25.61 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HG12 ' A' ' 63' ' ' ILE . 5.6 m -113.7 26.04 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -107.47 115.55 30.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.08 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.59 -40.37 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.7 50.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -102.47 -20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.39 9.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.6 p -139.61 169.47 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.466 HG12 HG21 ' A' ' 55' ' ' VAL . 4.5 mt -107.18 124.13 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.45 -178.13 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -66.78 -56.61 13.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 -33.82 15.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -51.39 -66.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -49.81 -49.12 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -45.54 62.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.5 m -64.78 -41.94 95.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.54 -54.35 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.15 -31.95 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.13 -19.92 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -54.07 -27.94 35.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -60.9 -19.09 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.5 ttm -53.84 -26.93 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -51.48 -30.54 20.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.53 175.76 9.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -61.28 -39.54 90.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.69 39.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 p -97.06 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 85' ' ' ILE . 25.2 mt-10 -57.25 -50.08 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -50.19 -57.43 7.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -54.31 -51.02 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.723 HG21 HG12 ' A' ' 142' ' ' VAL . 20.7 mt -51.61 -71.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -47.97 -38.87 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 tt0 -58.44 -41.13 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.69 -60.79 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -57.28 -24.78 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -76.13 -44.82 36.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -73.98 -22.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.2 m-30 -77.81 -38.41 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -84.89 90.48 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -51.7 -61.01 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -69.95 -20.74 63.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.26 37.06 94.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -69.52 -19.36 63.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.78 13.92 18.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -153.55 129.53 10.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -96.74 121.32 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -97.3 167.03 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.61 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.26 -66.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.7 mt-10 -51.38 -55.96 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.552 HD21 ' CE ' ' A' ' 124' ' ' MET . 7.4 tp -51.58 -44.45 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -57.49 -51.74 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.08 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.9 t -68.11 -55.43 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ttm -71.87 -28.37 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 m -77.17 -34.26 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -55.39 -25.94 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -77.92 -30.1 50.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 26.3 5.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -108.84 104.35 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -66.76 117.0 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 121' ' ' VAL . 0.8 OUTLIER -111.46 167.26 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.88 157.85 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.55 -39.75 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.37 -43.65 98.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.04 -69.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 116' ' ' LEU . 91.2 t -54.41 -44.9 68.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.76 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -51.97 -36.1 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.552 ' CE ' HD21 ' A' ' 105' ' ' LEU . 5.7 ttt -54.92 -59.5 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HA2' ' A' ' 134' ' ' GLY . 28.2 mm -60.72 -43.02 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.214 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -61.39 -28.52 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -90.32 -24.09 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 136' ' ' VAL . . . -83.82 -29.37 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -104.5 115.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -55.97 -22.84 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -21.83 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.72 42.48 91.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -94.11 -10.11 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 125' ' ' ILE . . . 110.37 -2.81 29.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -118.16 130.8 56.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 128' ' ' ALA . 24.8 t -104.94 115.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -93.41 -175.42 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 9.6 t80 -69.61 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.53 -31.69 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -84.69 -24.48 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 85' ' ' ILE . 36.5 t80 -75.28 -34.23 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.723 HG12 HG21 ' A' ' 85' ' ' ILE . 3.8 m -76.49 -22.17 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.39 -20.77 31.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -62.66 -15.95 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.3 ttp -110.55 11.11 23.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.1 p -116.24 49.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 51.81 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.8 21.38 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.5 p -49.74 -50.11 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.7 t -93.36 19.37 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -110.65 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.51 32.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.74 -27.48 6.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.1 m -51.44 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -52.46 27.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.484 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 98.7 m95 -57.65 -35.54 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . 0.417 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 12.3 mmt180 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 18' ' ' LEU . 33.9 ttpt -67.11 -53.42 30.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.729 HD11 HG11 ' A' ' 108' ' ' VAL . 7.1 tt -56.89 -46.32 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.513 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -67.8 -33.24 74.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.076 HD22 ' HB2' ' A' ' 15' ' ' ALA . 11.6 mt -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.533 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.3 -47.47 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 39' ' ' LEU . 7.3 m -66.17 -31.17 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -76.91 -51.19 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.83 -25.6 75.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.63 ' HB1' ' HG3' ' A' ' 36' ' ' MET . . . -55.54 -38.3 69.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -107.43 114.93 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.575 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.58 -24.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.83 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -52.83 -63.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -56.66 -41.6 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -50.94 -53.15 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.63 -34.72 67.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.099 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.92 -39.42 71.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -88.51 -40.06 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -54.45 -37.45 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.5 pp -70.94 -22.63 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.24 -70.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -59.5 103.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -90.45 -23.33 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -20.51 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.45 50.8 47.3 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -19.86 13.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.21 30.15 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -156.07 164.12 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 63' ' ' ILE . 2.6 mp -134.22 122.44 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -88.63 162.94 16.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.602 HG23 HG13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -53.37 -40.3 64.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 mt-10 -60.46 -70.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -50.49 -43.86 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.7 -64.97 3.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.0 m -53.08 -37.9 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 75.9 t -56.27 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.11 -42.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.39 -31.98 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -9.15 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.784 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER -93.77 20.14 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.95 15.39 79.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -107.35 168.18 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -123.41 68.32 39.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.09 18.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -109.76 -179.77 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.93 -41.04 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.78 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.16 -50.6 73.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 29' ' ' THR . 13.0 mt -63.01 -56.03 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.49 -38.21 66.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.8 -59.63 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.17 9.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HD21 ' A' ' 32' ' ' LEU . 45.8 mm -51.51 -55.29 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -60.89 -22.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -86.88 -22.88 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.47 23.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -138.59 105.12 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.87 -17.52 27.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -35.77 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.28 49.58 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.74 -21.2 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.84 11.37 55.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.56 142.5 32.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 27' ' ' ILE . 2.7 mt -82.05 138.75 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.39 179.58 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.24 -56.87 11.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 70' ' ' THR . 54.1 Cg_endo -69.66 -32.62 18.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -50.2 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -49.89 -43.51 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -46.56 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' PRO . 11.0 p -65.52 -46.26 80.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.6 ttp -52.34 -52.88 50.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.41 -48.1 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.57 -30.08 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.46 -28.52 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.05 -25.98 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -25.7 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.18 -29.87 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.06 106.72 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.3 m -51.63 -31.74 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.0 103.94 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -85.0 3.12 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.66 -37.13 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -55.7 -59.76 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.47 -53.32 59.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.9 mt -49.57 -70.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -47.01 -46.08 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.653 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.1 mm-40 -53.39 -39.37 64.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.61 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.89 -19.8 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -82.4 -37.84 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -80.38 -23.32 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.1 m-85 -72.38 -29.51 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.65 89.07 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -56.05 -52.73 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -69.62 -20.99 63.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.99 42.22 99.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.525 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -78.51 -16.57 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 6.11 28.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -151.81 141.09 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 105' ' ' LEU . 96.2 mt -90.63 132.38 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.7 m -108.56 165.29 11.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.41 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -71.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pt-20 -55.87 -41.58 74.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 100' ' ' ILE . 4.7 tp -57.99 -57.58 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HG2' HG21 ' A' ' 121' ' ' VAL . 33.7 mtp180 -53.21 -44.98 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.486 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 m-70 -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.3 t -59.76 -46.1 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 107' ' ' HIS . 6.5 t -50.5 -31.53 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.53 -60.23 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.95 -15.85 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.2 10.37 39.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.34 107.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -54.98 111.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.52 134.21 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.9 p -110.09 177.74 4.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -52.21 -35.85 50.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -63.8 -49.53 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.04 -64.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HG2' ' A' ' 106' ' ' ARG . 69.3 t -51.46 -51.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.81 -28.31 63.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.28 -59.82 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.58 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -53.64 -38.07 63.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 HD22 ' A' ' 105' ' ' LEU . 20.4 mm -72.98 -44.86 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -62.9 -27.26 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.2 -40.24 12.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.91 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.07 98.42 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -14.35 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.28 -20.78 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.99 47.04 48.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.05 11.21 29.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.58 18.0 69.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -136.32 132.7 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.14 124.07 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -104.71 163.54 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG13 ' A' ' 142' ' ' VAL . 72.9 t80 -58.7 -42.22 88.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 142' ' ' VAL . 7.6 tm-20 -49.28 -58.39 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.16 -25.92 58.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -56.19 -48.5 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.1 m -66.74 -22.96 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.23 -19.87 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.79 -16.11 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.15 10.92 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.3 p -109.53 29.78 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.76 21.25 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -50.76 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.75 -19.61 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -74.17 -177.21 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -86.12 34.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.51 -24.0 5.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 55.1 m -49.79 -67.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.27 -52.31 32.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -56.94 -29.82 63.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -61.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.794 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -49.4 -49.16 46.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 155' ' ' GLY . 6.2 tt -63.9 -44.89 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.485 ' N ' HG23 ' A' ' 159' ' ' ILE . 38.4 ttmt -60.99 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.099 HD22 ' HB2' ' A' ' 15' ' ' ALA . 27.6 mt -67.2 -43.98 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.28 -41.4 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.5 m -79.07 -25.35 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -81.26 -28.83 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -92.8 -49.81 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.456 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -50.98 -31.29 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -76.21 150.89 37.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.44 -22.31 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.62 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.06 -52.28 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.38 -42.77 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.36 -49.75 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.63 -38.55 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.75 -35.84 69.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -51.2 -47.62 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.34 -28.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -58.05 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.12 110.51 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -84.1 -26.08 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 -20.18 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.52 40.37 97.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -20.81 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.13 12.51 19.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -150.31 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.155 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.475 HG22 HD23 ' A' ' 32' ' ' LEU . 2.6 mp -136.35 120.98 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -93.58 170.64 9.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.613 HG23 HG13 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -56.62 -40.85 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -55.69 -41.01 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.5 tt0 -64.22 -69.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -50.77 -52.84 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.17 -52.6 35.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -64.11 -30.52 71.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 31' ' ' GLU . 42.7 t -64.03 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -67.04 -30.94 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -83.48 0.91 44.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 35' ' ' VAL . 2.4 mp -92.45 17.58 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.2 64.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -114.79 163.21 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -117.7 68.48 6.05 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.662 0.744 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.86 48.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -110.66 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.8 -28.57 65.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.74 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.71 -39.47 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.53 -59.2 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -51.65 -45.14 63.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.42 -54.71 43.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tpp -51.73 -59.82 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.697 HD11 HD21 ' A' ' 32' ' ' LEU . 38.4 mm -51.5 -58.48 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -55.45 -25.38 36.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -83.78 -25.84 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 63' ' ' ILE . 5.2 m -113.42 25.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -138.43 107.48 6.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.23 -16.36 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -40.5 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.77 49.51 3.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.36 6.16 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.9 30.57 70.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.2 p -140.75 149.22 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 55' ' ' VAL . 3.9 mt -100.34 122.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -76.4 -174.08 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.2 -60.2 3.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 110.839 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.4 Cg_endo -69.74 -29.47 23.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -50.84 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.88 -47.93 51.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.99 -50.95 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.2 m -58.52 -47.11 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 ttp -56.35 -41.23 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtp -70.78 -62.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.53 18.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -56.2 -26.99 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -20.73 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttt -56.09 -24.9 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -51.66 -30.3 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.98 163.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -70.46 -32.11 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.67 175.5 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 p -95.89 10.21 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -51.8 -38.5 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -55.59 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.38 -52.83 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 142' ' ' VAL . 66.5 mt -48.71 -70.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -46.89 -43.33 18.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 91' ' ' VAL . 24.7 mt-10 -54.79 -41.11 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.47 -60.74 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.94 -20.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -80.99 -44.25 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -72.76 -24.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.6 m-30 -71.22 -57.77 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -70.68 91.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -49.14 -51.34 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.16 -20.41 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.41 35.8 61.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.8 -10.55 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.61 8.11 25.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -153.11 140.98 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.2 126.35 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 m -100.01 160.95 13.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.06 22.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.24 -54.38 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 108' ' ' VAL . 31.6 mt-10 -61.26 -41.41 96.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.3 tp -65.9 -64.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.811 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -51.15 -33.85 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -70.98 -41.85 70.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.2 t -64.9 -36.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.4 ttm -80.91 -31.38 35.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.9 m -77.18 -33.63 56.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.81 -52.69 47.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.42 29.86 5.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.441 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.95 108.27 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -77.76 112.47 14.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.59 173.28 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.42 161.34 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -51.59 -40.28 59.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -62.51 -39.84 94.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.91 -69.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.99 -44.38 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -51.2 -56.53 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.32 -40.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.511 ' HE2' HD21 ' A' ' 105' ' ' LEU . 27.7 mtp -52.46 -55.38 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.36 -41.96 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.06 -29.44 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.55 -37.46 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.95 -2.75 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.2 110.24 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.492 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.6 mt -62.5 -47.54 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -20.71 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.42 48.04 72.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.29 -16.45 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.96 3.77 29.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -122.26 129.46 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 t -97.01 114.64 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -90.31 178.67 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 142' ' ' VAL . 7.7 t80 -70.72 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -50.99 -34.2 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 130' ' ' ILE . 20.1 mt-10 -83.52 -30.86 26.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.32 -56.34 17.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 138' ' ' TYR . 2.7 p -69.19 -24.1 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -75.64 -18.96 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.7 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 3.2 tmm? -73.26 -31.78 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -8.71 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.3 p -89.81 50.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.96 50.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.52 21.16 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.3 p -45.91 -49.87 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.9 p -92.56 -23.89 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.43 -176.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -84.74 34.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.37 -24.3 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.4 t -52.41 -70.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.47 -39.99 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.578 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 96.3 m95 -67.34 -30.64 70.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.679 0.276 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 23.5 ttp180 -72.07 -46.85 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -64.21 -46.52 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 155' ' ' GLY . 7.6 tt -63.62 -47.78 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.1 ptpp? -66.29 -34.21 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.3 mt -69.68 -36.96 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.54 -47.69 59.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 91' ' ' VAL . 7.6 p -63.78 -41.99 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.173 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.698 ' HD2' HD23 ' A' ' 161' ' ' LEU . 8.1 ptp180 -72.66 -33.81 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -67.68 -47.86 59.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . . . -64.97 -39.61 93.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.053 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -115.22 111.44 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.65 -22.2 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.14 -48.14 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.65 -55.49 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -54.89 -48.7 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -50.58 -56.65 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.08 -41.29 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.16 -43.33 82.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -48.58 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 t -51.3 -49.84 60.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 162' ' ' ALA . 0.6 OUTLIER -69.07 -23.81 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.35 -50.79 20.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -97.89 122.21 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -89.69 -30.23 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.16 -20.17 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.33 43.67 97.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -94.65 -20.1 19.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.9 29.17 5.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -169.2 163.1 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.43 123.83 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' THR . 3.4 m -89.35 161.23 16.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.33 -41.18 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.85 -55.4 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.0 mt-10 -56.37 -62.07 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -49.4 -49.64 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.09 -60.48 7.57 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -59.28 -36.12 74.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 31' ' ' GLU . 40.5 t -59.68 -60.89 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.67 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.1 ptp -65.39 -25.05 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -79.07 -24.53 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.56 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.71 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -93.84 20.41 7.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 0.18 89.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -77.06 147.94 36.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -114.22 72.44 2.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -110.39 175.27 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.88 -48.1 60.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.54 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -58.64 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' THR . 25.6 mt -53.09 -55.76 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -55.11 -37.71 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.8 -62.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -51.57 -57.81 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.684 HG13 HG23 ' A' ' 29' ' ' THR . 31.5 mm -50.78 -60.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -56.3 -24.2 41.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -83.65 -24.76 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.46 HG21 HG12 ' A' ' 63' ' ' ILE . 4.5 m -116.29 25.21 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -133.94 108.71 8.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.65 -16.11 29.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -40.21 18.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.65 18.82 29.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.47 5.28 35.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.7 30.63 69.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.8 p -134.43 165.44 25.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.744 0.307 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 55' ' ' VAL . 4.7 mt -106.46 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -173.88 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -69.95 -59.48 4.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.687 0.756 . . . . 0.0 110.901 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.77 -30.27 22.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -51.85 -66.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -50.56 -46.63 57.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.95 -51.08 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -60.13 -43.44 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.78 -62.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.1 ttp -59.7 -51.39 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.22 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -51.86 -52.52 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.92 -26.79 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -20.73 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -30.35 20.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -52.64 141.4 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.8 m -73.26 -54.23 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.62 119.64 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -96.16 9.51 40.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.18 -36.15 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -56.14 -60.02 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.75 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.516 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.8 mm -48.79 -70.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -47.07 -48.68 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.673 ' O ' HG13 ' A' ' 91' ' ' VAL . 36.6 mt-10 -51.29 -38.08 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.61 -51.22 58.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.55 -19.13 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -35.01 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.2 m -80.4 -28.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.2 m-30 -74.04 -41.88 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.6 90.63 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.81 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -69.33 -20.44 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.04 35.66 90.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.97 -20.52 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 15.6 11.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -153.67 138.27 16.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.717 HG21 HD13 ' A' ' 105' ' ' LEU . 90.7 mt -100.9 119.55 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 m -98.17 -178.03 3.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.445 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -66.54 -28.21 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.32 -59.96 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.7 mt-10 -60.06 -44.31 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.731 HD22 HD11 ' A' ' 125' ' ' ILE . 2.4 tp -61.36 -64.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.656 ' O ' HG23 ' A' ' 110' ' ' THR . 10.2 ptm180 -50.96 -35.22 32.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -66.05 -44.4 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' GLU . 55.3 t -64.54 -38.84 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mmt -67.17 -61.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 106' ' ' ARG . 29.5 p -53.15 -44.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.44 -45.19 62.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -61.67 -26.56 68.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.24 30.48 3.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -126.69 89.9 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.38 130.63 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 169.63 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.1 161.8 15.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -51.64 -37.64 51.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.52 -38.55 90.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.61 -67.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.445 HG11 ' HB1' ' A' ' 102' ' ' ALA . 74.6 t -53.84 -50.29 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.16 -34.43 66.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.48 -63.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.577 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.1 ptm -51.36 -32.31 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.731 HD11 HD22 ' A' ' 105' ' ' LEU . 15.7 mm -70.94 -60.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -54.03 -27.36 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.15 -31.54 20.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' A' ' 136' ' ' VAL . . . -76.31 -21.86 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -110.31 120.1 41.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -66.33 -17.56 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -21.71 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.03 43.83 94.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.56 -10.09 44.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.54 0.19 40.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -124.79 130.0 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 128' ' ' ALA . 16.2 t -97.12 112.09 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.06 164.95 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.5 t80 -62.83 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -48.83 -55.82 10.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -75.38 -28.94 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.516 ' HE1' HG23 ' A' ' 85' ' ' ILE . 40.3 t80 -53.98 -49.1 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.3 m -64.85 -21.59 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.8 -19.72 65.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.71 -17.23 54.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -110.41 10.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -111.25 34.92 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 107.59 50.85 0.78 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -96.47 21.22 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -49.14 -50.35 37.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 65.8 p -80.15 -13.78 58.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.624 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.98 -177.15 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.23 33.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.29 -25.98 4.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 t -49.82 -67.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.56 -52.34 24.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.621 ' CH2' HD21 ' A' ' 105' ' ' LEU . 92.9 m95 -55.76 -35.5 66.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 160' ' ' LYS . 14.8 tpp180 -68.35 -40.76 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.583 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -68.06 -53.03 28.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.611 ' O ' HG13 ' A' ' 163' ' ' VAL . 6.1 tt -58.9 -45.02 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -67.96 -33.96 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.087 HD22 ' HB2' ' A' ' 15' ' ' ALA . 10.9 mt -68.57 -36.0 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.44 -46.27 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.71 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.7 m -67.29 -32.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.481 ' NE ' HD23 ' A' ' 161' ' ' LEU . 8.7 ptt180 -84.41 -31.3 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.47 -27.66 54.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.52 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -52.24 -40.11 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -121.13 -178.13 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.2 -22.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.7 -48.17 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -50.88 -65.46 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.17 -41.33 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -49.42 -58.43 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.1 tm-20 -66.51 -32.95 74.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.007 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -54.22 -51.58 64.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -77.62 -38.26 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -50.47 -48.4 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -70.9 -27.42 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' HG11 ' A' ' 35' ' ' VAL . 6.8 t80 -66.44 -18.55 65.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.61 102.04 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.92 -23.34 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.94 -20.74 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.14 46.92 92.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -77.78 -8.57 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.67 -1.34 45.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -164.57 165.49 21.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' A' ' 63' ' ' ILE . 3.5 mp -127.12 132.98 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 29' ' ' THR . 2.7 m -95.01 163.88 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.671 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.39 -42.18 31.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -58.66 -60.77 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-10 -53.44 -55.13 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -54.54 -49.54 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -51.45 -55.97 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -61.0 -34.42 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.2 t -67.77 -37.19 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.733 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.6 ptp -84.68 -19.63 32.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -90.16 -22.47 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -15.32 45.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.771 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.4 mm? -89.32 19.26 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 13.63 83.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.531 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -90.08 156.92 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -113.87 72.97 2.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 137.8 36.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.84 172.67 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -52.48 -44.65 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.72 -59.33 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.564 ' HB3' HG22 ' A' ' 29' ' ' THR . 29.7 mt -51.97 -59.27 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -51.81 -41.67 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.13 -64.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 mtm -50.44 -59.85 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.671 HG13 HG23 ' A' ' 29' ' ' THR . 35.8 mm -49.25 -59.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.03 -27.45 32.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -80.19 -27.77 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 52' ' ' ILE . 4.4 m -109.36 23.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -129.82 108.09 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.76 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.51 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 48.1 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.23 9.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.05 30.63 74.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -139.7 154.81 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -113.01 133.21 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 92.0 m-20 -93.34 173.51 7.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 2.0 t80 -63.26 -55.04 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.5 Cg_endo -69.77 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.45 -58.27 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 63' ' ' ILE . 51.3 t80 -55.8 -48.98 74.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -47.79 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.2 m -65.25 -42.0 93.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -53.22 -57.1 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.0 ptm -70.68 -33.4 70.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.48 -33.56 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.32 -30.73 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.07 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -51.72 -30.5 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -52.04 -29.85 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -109.61 102.62 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -60.32 -25.04 65.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.09 101.36 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -95.2 7.1 47.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.54 -36.34 44.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.11 -59.85 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.54 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.623 HG23 ' HE1' ' A' ' 141' ' ' PHE . 83.4 mt -49.36 -71.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -47.56 -46.17 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.625 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.9 mm-40 -53.14 -38.37 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.518 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.41 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -59.56 -19.76 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -81.87 -40.13 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -77.76 -24.28 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.3 m-30 -73.27 -42.0 62.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.68 84.43 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -50.68 -53.17 33.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.1 -20.85 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.19 39.04 94.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -73.23 -16.12 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.12 4.75 29.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -151.9 134.72 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 105' ' ' LEU . 72.5 mt -86.8 133.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.0 m -110.24 164.87 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.88 -19.53 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.12 -70.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.2 pt-20 -58.66 -42.79 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 100' ' ' ILE . 7.7 tp -55.18 -59.49 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -55.77 -42.25 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.433 ' HA ' HG22 ' A' ' 110' ' ' THR . 2.2 m-70 -62.98 -32.38 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.5 t -72.97 -44.59 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.454 ' CB ' HD21 ' A' ' 116' ' ' LEU . 10.3 mmt -65.47 -38.86 91.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 107' ' ' HIS . 13.9 t -77.49 -33.86 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -52.16 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -21.3 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.22 -6.81 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.63 115.43 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -81.76 111.33 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -124.93 168.85 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 120' ' ' GLU . 4.1 t -110.17 160.67 16.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.4 -36.44 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.88 -45.54 93.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.481 ' H ' HG23 ' A' ' 117' ' ' THR . 8.3 mt-10 -51.84 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.1 -42.39 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.44 -56.74 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.19 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttt -55.62 -48.39 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.648 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -72.9 -50.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -56.07 -25.52 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.0 -39.31 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.87 -1.65 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -120.29 107.53 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.7 mt -62.97 -46.81 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -20.65 57.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.31 37.6 86.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.62 11.73 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.63 9.77 86.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -127.05 129.54 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.0 t -96.33 122.74 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -100.72 164.43 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.21 -52.34 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.68 -37.15 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.71 -28.95 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.9 t80 -63.14 -47.7 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.82 -24.86 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.28 -22.95 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.414 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.3 mpp? -65.21 -14.07 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.9 ttp -110.54 10.95 23.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -120.61 48.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.76 50.95 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.76 21.03 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.069 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 57.5 p -48.48 -47.78 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 17.1 p -86.77 -14.82 41.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -79.24 -178.24 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.98 32.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.29 -26.4 6.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.4 m -50.89 -65.08 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.47 -53.19 25.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.524 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 95.3 m95 -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.28 -47.32 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.61 ' CG ' HD22 ' A' ' 18' ' ' LEU . 10.8 tttp -61.06 -56.01 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 163' ' ' VAL . 3.5 tt -57.35 -41.28 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.026 0.441 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.46 ' HA ' HG22 ' A' ' 163' ' ' VAL . 37.1 ttmt -68.27 -36.62 79.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 15' ' ' ALA . 20.0 mt -68.14 -35.41 78.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.913 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.95 -47.64 36.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.771 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.8 m -66.04 -33.52 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.557 ' HD3' HD23 ' A' ' 161' ' ' LEU . 8.7 ptm180 -82.23 -32.75 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.61 -26.52 58.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.733 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -72.08 -30.39 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.19 -16.68 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.872 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -71.8 -21.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.59 -47.2 58.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.55 ' HG2' HD23 ' A' ' 161' ' ' LEU . 1.2 mt-10 -51.88 -55.05 22.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.65 -47.22 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -51.57 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -52.19 -42.63 63.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -54.91 -51.54 65.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -62.22 -39.76 93.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -57.65 -50.4 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 18' ' ' LEU . 4.4 pp -76.69 -14.08 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -82.21 -69.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.45 141.39 58.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -85.31 -35.02 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.1 -20.76 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.78 50.41 66.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -81.35 -6.72 59.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.27 24.37 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -169.75 160.42 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.178 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.61 HG22 HD23 ' A' ' 32' ' ' LEU . 6.7 mt -130.25 127.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -100.43 164.97 11.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 52' ' ' ILE . 1.1 p -48.45 -34.28 10.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -59.15 -54.13 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.678 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -54.31 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.785 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -48.91 -44.94 40.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.71 -65.1 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -56.05 -37.99 70.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 19' ' ' PHE . 58.2 t -54.33 -66.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.751 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.9 ptp -60.58 -27.69 67.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -74.55 -23.4 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.723 ' OG ' HD12 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -69.9 -10.92 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.742 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.1 mm? -92.67 -5.15 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.19 8.94 37.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -122.0 97.99 5.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -75.93 113.42 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 163.62 37.67 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.7 t -110.99 167.05 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -51.36 -47.76 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 44' ' ' THR . 10.9 mm-40 -59.67 -66.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.657 HD22 HD12 ' A' ' 32' ' ' LEU . 47.3 mt -49.56 -54.21 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.42 -42.58 74.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.28 -55.29 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.5 tpp -52.44 -59.44 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.764 HD11 HD21 ' A' ' 32' ' ' LEU . 46.7 mm -49.26 -58.55 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -60.61 -21.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -85.17 -23.28 28.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 63' ' ' ILE . 11.3 m -114.25 24.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.72 100.5 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.38 -18.34 61.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.93 -35.55 6.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 50.24 4.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.46 -20.71 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.12 13.9 23.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -145.28 158.64 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 HG21 ' A' ' 55' ' ' VAL . 3.1 mt -93.52 136.38 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.86 -179.86 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.59 -57.17 10.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.9 Cg_endo -69.74 -33.85 15.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.67 -67.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -50.34 -50.09 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -46.03 36.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.6 m -66.91 -40.32 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ttp -56.27 -56.92 15.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.89 -32.96 73.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.54 71.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -59.54 -34.5 72.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -55.55 -27.18 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ttt -58.05 -26.03 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -52.18 -52.34 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.45 102.01 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -56.31 -24.84 46.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.79 102.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -90.17 -23.39 21.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -48.81 -36.1 15.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.35 -58.72 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.39 -55.97 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.57 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.7 mm -49.08 -69.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -46.56 -52.63 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.4 tp10 -49.76 -36.86 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -63.74 -57.3 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -63.67 -19.35 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -34.36 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.8 m -83.81 -25.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -75.44 -25.26 57.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.47 91.06 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -54.08 -62.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -68.98 -20.52 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.92 36.17 81.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -71.43 -20.48 62.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.66 12.76 27.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -147.8 129.57 15.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.973 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 105' ' ' LEU . 73.1 mt -93.05 113.4 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.1 m -96.93 167.6 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.624 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.54 -32.27 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.87 -64.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 108' ' ' VAL . 29.7 mt-10 -52.25 -57.12 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 100' ' ' ILE . 5.9 tp -51.49 -42.06 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.671 ' CG ' HG21 ' A' ' 121' ' ' VAL . 43.7 mtm180 -58.8 -55.63 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.39 -26.75 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 104' ' ' GLU . 52.1 t -67.56 -53.81 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mtm -77.72 -20.67 53.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -81.25 -39.87 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.45 -27.16 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.723 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -73.58 -18.75 61.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.44 -15.11 30.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.69 116.18 17.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -80.61 123.57 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -116.27 162.82 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -109.14 162.35 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.21 -35.38 49.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.34 -40.2 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.17 -65.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 106' ' ' ARG . 99.5 t -53.87 -47.2 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.51 -31.2 70.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.36 -63.23 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -51.49 -39.25 57.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -69.58 -49.66 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.0 -29.58 65.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.58 -27.49 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.7 9.36 24.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -120.78 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.5 -42.46 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -20.56 25.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.27 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -9.21 21.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.06 6.36 48.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -123.09 129.62 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 t -96.47 128.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -109.99 -169.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' HG13 ' A' ' 142' ' ' VAL . 10.4 t80 -73.02 -60.46 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.32 -28.18 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.69 -28.32 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.1 t80 -71.59 -33.42 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.7 m -77.89 -26.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.49 -20.92 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -65.1 -13.71 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 10.88 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 p -114.93 46.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.21 51.04 1.8 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.49 21.18 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -50.13 -50.25 49.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.64 -22.23 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -67.62 -177.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.43 33.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.25 -24.54 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -50.38 -67.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.28 -49.99 42.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 105' ' ' LEU . 89.7 m95 -58.9 -29.84 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -71.4 -59.37 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -49.61 62.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.0 tt -62.9 -44.03 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 159' ' ' ILE . 34.0 ttmt -64.37 -34.22 77.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -72.11 -37.81 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -69.38 -41.21 76.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' HG ' ' A' ' 39' ' ' LEU . 36.0 m -73.12 -38.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.474 ' HD3' HD22 ' A' ' 161' ' ' LEU . 9.1 ptm180 -76.34 -30.88 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -88.65 -23.22 36.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.751 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.56 -38.88 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.714 0.292 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -113.81 -173.31 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.56 -22.49 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.78 60.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.55 -47.72 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -51.01 -57.99 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.79 -44.4 73.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -57.26 -38.53 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.07 -66.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -52.07 -26.74 11.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.95 -70.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -7.27 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -106.38 86.86 2.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -14.69 32.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.25 -20.61 37.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.82 58.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -20.39 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.22 26.12 22.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -153.95 167.93 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.1 135.17 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 31' ' ' GLU . 14.6 t -100.24 170.75 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' HD21 ' A' ' 32' ' ' LEU . 1.3 p -59.77 -39.92 86.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -59.59 -39.91 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.4 mt-10 -62.51 -69.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 HD22 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -49.71 -47.46 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.81 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.61 -43.12 79.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' GLU . 34.1 t -50.52 -62.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.683 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.1 ptp -61.84 -31.28 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -67.82 -27.7 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -13.42 59.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.0 mm? -93.67 20.07 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 17.59 79.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.14 152.3 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.28 67.3 6.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 156.94 61.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -111.21 163.27 14.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.54 -38.73 55.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.1 89.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.8 -54.93 41.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -57.82 -58.5 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.38 -38.23 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.56 -60.21 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mtt -51.4 -53.26 38.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG13 ' A' ' 63' ' ' ILE . 7.9 mm -50.27 -58.67 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.6 -16.73 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.37 -31.98 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 HG12 ' A' ' 63' ' ' ILE . 4.9 m -100.47 -14.82 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 102.2 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.43 -17.98 46.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -111.65 -40.41 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 50.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.78 -20.41 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 21.65 10.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 p -146.48 170.66 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 111.161 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.784 HG12 HG21 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -102.3 122.62 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.43 177.82 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.94 -56.68 10.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.84 -34.09 15.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.2 -61.37 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -57.66 -39.73 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -61.41 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -62.97 -34.8 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.2 ttp -53.74 -52.38 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 ptm -83.95 -19.62 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.11 -23.41 34.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.36 -25.93 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -81.16 -12.82 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttp -81.57 -0.08 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -55.27 -25.79 36.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t0 63.62 38.45 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -97.99 -33.81 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.71 83.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 m -77.65 -28.06 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.55 -47.37 57.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -58.1 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.15 -46.76 79.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.66 -71.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -48.2 -41.12 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.62 -40.13 74.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.15 -60.47 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 100' ' ' ILE . 31.8 t80 -59.13 -21.41 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -79.95 -42.37 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.9 m -75.36 -24.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.9 m-85 -71.95 -45.46 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.75 91.13 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -49.17 -63.04 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.98 -20.52 63.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.65 37.01 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.548 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -70.29 -13.24 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.44 8.7 24.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -152.22 143.45 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 89' ' ' PHE . 78.8 mt -98.34 113.51 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.9 m -86.04 167.17 15.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.76 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.44 25.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -59.71 -47.87 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 125' ' ' ILE . 14.2 tp -61.49 -63.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.663 ' O ' HG23 ' A' ' 110' ' ' THR . 30.0 ptt85 -50.63 -33.81 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -68.28 -44.28 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.09 -34.11 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.625 ' HG2' HD22 ' A' ' 116' ' ' LEU . 28.0 tpp -71.04 -58.25 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 106' ' ' ARG . 30.9 p -56.91 -50.52 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -52.94 -34.87 57.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.521 HD11 HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.56 -28.88 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.19 27.11 4.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -108.47 177.92 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.3 tttm -114.98 112.33 22.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.625 HD22 ' HG2' ' A' ' 109' ' ' MET . 2.0 mp -147.75 132.66 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.2 p -106.49 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -50.9 -34.69 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.83 -54.86 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.72 -58.2 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.3 t -53.76 -53.19 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -56.34 -29.45 61.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -62.41 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -51.49 -37.01 47.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -70.51 -50.83 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -29.94 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -87.26 -35.01 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.07 3.83 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -121.13 133.46 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 140' ' ' GLU . 3.5 mm -80.43 -44.58 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.198 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -20.38 28.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.01 40.12 95.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.83 6.29 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.8 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.87 3.48 83.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.576 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.89 129.75 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 125' ' ' ILE . 14.9 t -97.35 116.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -95.17 160.84 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG13 ' A' ' 142' ' ' VAL . 65.0 t80 -57.89 -44.26 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -57.28 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 130' ' ' ILE . 7.0 pt-20 -74.64 -22.39 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.66 -48.97 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -69.66 -28.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.26 -24.73 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.9 tmm? -65.93 -25.04 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 mtp -94.75 -2.07 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 142' ' ' VAL . 31.0 p -99.65 51.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.14 51.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -94.25 21.8 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -47.69 -48.77 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.5 t -100.11 -16.34 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.87 -177.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.69 33.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.95 5.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.407 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.4 p -49.44 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.8 -54.46 21.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -53.5 -34.03 56.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -67.76 -51.92 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -56.18 -53.68 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 155' ' ' GLY . 4.1 tt -59.83 -42.83 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.8 ttmt -62.34 -45.94 90.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -61.62 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -62.99 -50.36 71.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.6 m -67.65 -26.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.471 ' NH2' HD22 ' A' ' 161' ' ' LEU . 41.6 mtm180 -73.95 -57.35 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.06 -28.88 73.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.31 -31.22 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -109.36 119.64 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.71 -21.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.17 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 161' ' ' LEU . 5.7 mm-40 -51.2 -50.8 58.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 69' ' ' LEU . 8.0 m-85 -63.41 -40.5 97.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -54.52 -58.15 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HG3' HD13 ' A' ' 161' ' ' LEU . 13.7 pt-20 -61.66 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.776 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.34 -36.52 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.92 -47.7 24.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.795 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -52.06 -49.44 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -68.06 -18.95 64.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -64.6 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.78 116.99 22.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.1 -22.42 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -20.22 33.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.0 49.41 59.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -97.1 -20.14 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 22.74 7.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -163.62 163.04 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HD23 ' A' ' 32' ' ' LEU . 13.0 mt -127.66 124.3 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -94.59 168.09 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' HD21 ' A' ' 32' ' ' LEU . 18.0 p -54.2 -31.27 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -60.39 -49.08 79.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.7 mt-10 -61.66 -69.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -48.94 -43.17 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.44 5.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.4 m -58.09 -37.17 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.4 t -58.84 -60.57 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.703 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 22.0 ptp -68.17 -19.91 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -74.86 -37.13 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 1.01 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.824 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -93.15 19.78 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 20.88 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -119.48 157.65 27.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -112.74 76.91 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 130.87 20.21 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.764 2.309 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -110.61 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.45 -48.1 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.4 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.62 -62.09 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 32' ' ' LEU . 19.0 mt -53.91 -54.32 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -53.99 -45.01 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -56.19 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mmt -50.45 -59.71 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.79 HD11 HD21 ' A' ' 32' ' ' LEU . 48.1 mm -51.15 -58.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.26 -23.78 38.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.64 -25.03 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -116.69 26.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -136.09 105.34 6.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.94 -13.78 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -40.35 15.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 39.41 5.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' THR . 1.5 p30 -106.08 6.83 31.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.427 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.8 30.37 69.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.8 p -137.47 168.68 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 111.163 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 55' ' ' VAL . 3.2 mt -113.82 130.81 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -85.08 -177.17 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -68.82 -61.11 3.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.715 ' O ' HG23 ' A' ' 70' ' ' THR . 52.9 Cg_endo -69.77 -27.66 26.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.04 -66.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -49.69 -44.43 48.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -51.14 -47.79 61.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 66' ' ' PRO . 9.8 p -66.42 -45.2 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.4 ttp -51.28 -56.86 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.956 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.54 -50.18 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.97 -29.76 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -51.77 -31.33 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.49 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -59.02 -25.26 63.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -52.07 -30.43 25.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.46 160.27 20.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.9 t -102.81 10.2 38.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.62 98.58 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 p -88.27 -20.47 25.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 -36.48 46.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -56.47 -59.85 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -52.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.595 HG23 ' HE1' ' A' ' 141' ' ' PHE . 39.5 mm -50.74 -71.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -46.27 -43.45 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.1 tt0 -55.53 -41.37 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.13 -61.14 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -58.72 -21.03 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.06 -41.37 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -77.68 -22.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 22.7 m-85 -74.22 -50.39 19.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.43 91.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -52.03 -64.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -69.4 -20.76 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.22 92.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.05 -18.28 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.26 17.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -152.65 140.85 20.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.999 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 HD13 ' A' ' 105' ' ' LEU . 69.7 mt -99.78 120.37 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -95.91 179.96 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.726 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -69.83 -27.54 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.44 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.5 mt-10 -58.72 -40.51 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -66.99 -63.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -51.09 -32.01 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -74.34 -41.12 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.8 t -62.32 -44.28 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mtm -73.85 -54.58 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.6 m -55.07 -32.62 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -56.53 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 39' ' ' LEU . 4.1 mp -60.26 -19.5 55.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.33 21.42 6.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.73 147.02 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -104.98 131.11 52.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -157.64 155.84 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -111.85 179.92 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.41 -41.28 76.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.68 -37.39 81.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -59.11 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.726 HG11 ' HB1' ' A' ' 102' ' ' ALA . 27.0 t -51.15 -45.92 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -60.53 -33.32 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 152' ' ' ALA . 7.6 tp10 -71.23 -62.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.534 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.5 ptm -51.19 -39.19 55.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.517 HD11 HD22 ' A' ' 105' ' ' LEU . 17.6 mm -70.64 -44.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -87.41 -41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB2' ' NE1' ' A' ' 156' ' ' TRP . . . -70.04 -24.01 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -114.06 110.89 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -13.75 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.0 -20.55 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.36 39.0 70.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.77 1.33 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.61 5.95 68.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -130.2 133.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.65 106.67 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -85.28 165.11 17.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.498 ' O ' HG13 ' A' ' 142' ' ' VAL . 83.9 t80 -66.45 -45.14 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -48.98 -48.15 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.69 -30.73 29.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.595 ' HE1' HG23 ' A' ' 85' ' ' ILE . 39.6 t80 -52.63 -51.24 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.9 m -61.68 -30.12 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -68.4 -21.64 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 156' ' ' TRP . 5.0 tmm? -67.58 -12.18 59.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.28 11.64 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -105.84 29.95 6.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.04 52.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.775 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -100.2 22.68 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.7 p -45.3 -50.12 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.6 t -76.24 -28.7 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.775 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -64.47 -176.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -85.28 34.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.13 -26.35 4.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.2 m -48.44 -67.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.67 -56.06 12.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.506 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.2 m95 -52.24 -35.1 48.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -52.74 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.643 ' HG3' HD22 ' A' ' 18' ' ' LEU . 13.0 ttpt -54.82 -53.93 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 92' ' ' PHE . 5.4 tt -59.91 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 3.8 mmmp? -62.25 -36.32 81.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 15' ' ' ALA . 6.8 mt -68.06 -46.07 72.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.66 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.824 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -71.79 -31.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -75.59 -33.45 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.45 -47.23 8.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.48 -30.89 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.277 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -120.75 100.21 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.88 -21.37 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.99 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -43.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -67.94 -49.05 64.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -51.28 -42.26 61.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.04 -39.8 60.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.962 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.13 -37.06 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -88.5 -43.11 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -51.11 -48.19 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 18' ' ' LEU . 4.3 pp -70.52 -23.38 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -62.07 1.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -83.09 111.73 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -88.73 -27.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.55 -20.14 61.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.56 47.03 92.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -99.82 -19.95 16.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.33 6.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -167.01 163.82 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' ' 31' ' ' GLU . 8.7 mt -132.42 122.44 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -98.85 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -50.84 -32.19 19.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -60.91 -45.85 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 27' ' ' ILE . 1.1 tt0 -62.94 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -50.49 -43.68 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.11 -62.19 6.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 m -56.35 -29.51 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' GLU . 44.9 t -65.27 -61.29 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -35.75 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -72.84 -31.02 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -76.18 -5.67 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.452 HD21 ' HA ' ' A' ' 163' ' ' VAL . 4.1 mp -92.73 17.26 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 14.39 77.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -107.49 -177.26 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -134.93 74.53 63.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.05 55.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.744 2.296 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 p -110.38 166.77 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.09 -26.91 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.1 59.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.96 -47.77 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 32' ' ' LEU . 12.6 mt -59.1 -61.73 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -52.18 -41.21 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -57.26 -62.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.36 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD21 ' A' ' 32' ' ' LEU . 35.9 mm -51.02 -59.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.31 -23.32 47.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -84.25 -24.82 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 63' ' ' ILE . 5.0 m -117.8 25.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -137.34 104.53 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.69 -15.34 30.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -40.74 16.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.05 43.28 4.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 62' ' ' THR . 0.5 OUTLIER -108.63 4.0 23.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.91 30.25 69.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.413 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 60' ' ' ASN . 26.3 p -137.58 160.14 39.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 55' ' ' VAL . 3.6 mt -111.67 139.55 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -95.67 -178.84 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 t80 -66.99 -56.82 12.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.756 ' O ' HG23 ' A' ' 70' ' ' THR . 52.7 Cg_endo -69.8 -35.69 12.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.661 2.241 . . . . 0.0 112.245 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -49.3 -66.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -50.9 -41.68 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -45.65 79.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 66' ' ' PRO . 12.1 p -65.81 -46.9 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -52.9 -50.3 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -51.97 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.85 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -55.56 -25.73 39.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -65.41 -18.34 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.5 ttp -51.39 -30.49 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -51.7 -30.18 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -114.12 132.95 55.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 p -89.68 10.27 23.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.22 98.62 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 p -90.82 -22.76 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -58.54 -33.77 70.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.04 -61.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.74 -47.59 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.512 HG23 ' HE1' ' A' ' 141' ' ' PHE . 27.9 mm -53.19 -71.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -47.42 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.8 tp10 -53.69 -38.93 64.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.25 -60.72 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.22 -19.9 49.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -81.7 -41.78 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.6 m -75.35 -25.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.3 m-30 -69.76 -43.85 71.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -84.02 90.88 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -50.03 -46.97 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.38 -20.06 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.17 35.48 60.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -70.39 -11.21 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.6 7.38 25.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -153.39 141.75 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 105' ' ' LEU . 97.5 mt -96.62 129.87 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -100.15 165.69 11.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.97 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.91 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 mt-10 -58.06 -46.11 85.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.644 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.6 tp -65.46 -61.98 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -50.41 -31.75 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.31 -44.87 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.4 t -65.2 -29.06 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.0 tpp -86.95 -42.69 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.9 m -67.71 -45.96 73.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -59.44 -35.89 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -24.38 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.1 -17.29 32.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.9 107.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -63.01 140.39 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.664 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -156.25 158.06 36.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -50.57 -39.8 50.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.0 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 HD23 ' A' ' 116' ' ' LEU . 38.1 t -54.81 -47.96 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -51.05 -46.78 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.49 -37.07 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CE2' ' A' ' 156' ' ' TRP . 14.3 mtp -60.38 -41.78 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.15 -44.48 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -62.0 -27.35 68.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -90.33 -40.83 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.66 63.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -104.53 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -13.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.18 -21.01 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.0 45.28 96.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.71 -16.89 23.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.56 6.33 35.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -140.32 132.09 27.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.1 t -88.15 130.12 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -109.86 164.82 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.608 ' O ' HG13 ' A' ' 142' ' ' VAL . 92.2 t80 -65.61 -42.94 91.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -49.49 -49.28 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.82 -31.09 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.512 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.0 t80 -52.34 -48.09 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -65.69 -26.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -84.94 -20.3 30.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 9.9 tmm? -63.69 -20.86 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.62 9.56 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 142' ' ' VAL . 67.9 p -104.48 46.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 50.54 0.24 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.946 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -106.95 22.86 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 t -43.61 -39.24 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -97.37 -25.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -61.89 -176.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.71 33.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.96 -25.4 5.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.71 -57.39 12.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.644 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.5 m95 -52.55 -34.98 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -66.18 -48.89 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.72 -55.48 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 160' ' ' LYS . 6.0 tt -56.54 -45.29 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.6 ttpt -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.962 HD22 ' HB2' ' A' ' 15' ' ' ALA . 26.2 mt -65.48 -36.16 83.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.33 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.528 HG21 HG21 ' A' ' 91' ' ' VAL . 6.0 p -65.96 -36.11 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -55.73 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -62.55 -44.83 97.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -96.37 116.65 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.15 -22.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -43.33 63.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.08 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CG ' HD11 ' A' ' 69' ' ' LEU . 36.4 m-85 -52.12 -47.39 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -49.39 -55.31 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.01 -39.74 86.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -62.52 -35.59 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.81 -58.23 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -63.2 -22.4 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.81 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' HD23 ' A' ' 18' ' ' LEU . 2.8 p90 -81.17 -16.11 53.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.29 96.69 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -90.28 -31.04 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.14 -22.85 62.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 50.97 13.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.45 -16.48 56.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 13.96 25.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -167.63 173.13 8.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.595 HG23 ' CB ' ' A' ' 31' ' ' GLU . 3.5 mp -138.4 133.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 30' ' ' LYS . 14.4 t -100.41 174.8 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' ILE . 77.0 p -57.44 -27.81 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.225 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.643 ' H ' HG23 ' A' ' 28' ' ' THR . 45.4 mttp -63.2 -52.8 60.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -58.47 -67.16 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -49.96 -52.49 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.87 -55.37 9.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.454 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.7 m -63.91 -28.27 69.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.07 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLU . 76.2 t -70.28 -45.64 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 ptp -73.1 -31.2 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.35 -29.62 42.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 16.6 p -71.1 -8.73 55.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.788 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -87.38 10.14 18.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 10.71 57.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -106.95 156.41 18.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -118.62 66.92 7.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 157.85 58.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 46' ' ' ALA . 12.0 t -111.81 178.42 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.48 -42.1 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.426 ' H ' HG23 ' A' ' 44' ' ' THR . . . -50.43 -46.18 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -58.61 -46.69 86.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.58 -60.77 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -53.06 -37.35 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.06 -60.19 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.8 mmm -52.15 -55.09 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 32' ' ' LEU . 28.7 mm -51.68 -53.78 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.19 -26.87 66.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 -25.88 37.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 71' ' ' MET . 5.6 m -111.38 22.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.58 96.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -17.07 64.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -37.43 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 50.97 2.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -95.92 -20.86 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.22 19.32 9.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.7 p -150.88 168.64 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.84 133.18 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 77.7 m-20 -95.95 175.85 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.2 t80 -64.96 -53.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.99 -51.71 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 63' ' ' ILE . 26.9 t80 -55.5 -52.6 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.29 -36.49 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB2' HG12 ' A' ' 55' ' ' VAL . 13.4 tmm? -55.6 -51.92 65.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -53.23 52.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 -29.89 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.8 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -85.0 -10.53 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.9 tpt -60.74 -19.23 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -51.81 -29.9 21.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.71 109.82 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -66.25 -24.82 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.53 103.74 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -92.76 10.22 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 85' ' ' ILE . 18.0 tt0 -50.95 -46.07 60.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.29 -59.12 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -56.04 -47.07 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' GLU . 83.5 mt -51.22 -71.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -48.56 -39.87 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.0 tp10 -57.29 -39.94 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.95 -59.52 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -59.37 -22.04 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -79.7 -43.44 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -73.85 -24.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.703 ' CE1' HG11 ' A' ' 163' ' ' VAL . 21.0 m-85 -73.61 -38.86 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.56 84.22 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -59.81 -31.35 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -20.15 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.67 61.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.74 -20.4 63.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.45 9.95 30.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -152.1 135.87 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.788 HG21 HD13 ' A' ' 105' ' ' LEU . 75.4 mt -93.12 134.05 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -110.25 168.96 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.25 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.61 -71.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.4 pt-20 -57.04 -41.52 78.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 100' ' ' ILE . 5.3 tp -57.32 -59.01 5.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 121' ' ' VAL . 16.5 mmm-85 -54.26 -43.21 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.12 -31.04 72.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.2 t -70.99 -45.22 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.72 -19.84 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.6 m -86.29 -49.01 8.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 7.4 m120 -52.23 -34.65 46.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.577 ' CD2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.63 -30.19 59.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.82 20.55 7.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -88.96 96.35 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.88 138.17 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.1 pp -146.8 162.3 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 t -109.98 167.44 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -51.92 -40.3 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.66 -38.9 92.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.99 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.803 HG21 ' HD3' ' A' ' 106' ' ' ARG . 62.0 t -57.08 -42.0 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -62.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.33 -34.18 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ttt -53.9 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.93 -39.05 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.77 -29.36 68.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -90.3 -44.17 9.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.72 -12.79 61.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -110.67 109.38 19.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pt -72.6 -31.12 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -20.14 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.67 38.54 77.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.14 13.27 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.97 13.77 72.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -131.88 129.91 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.34 110.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.75 162.86 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 142' ' ' VAL . 81.6 t80 -65.3 -45.79 82.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.56 -49.4 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.14 -31.02 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.85 -46.38 67.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.3 m -71.06 -29.2 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.5 -21.78 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.715 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.8 tmm? -62.39 -22.36 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ptm -101.49 -3.9 27.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 142' ' ' VAL . 43.0 p -91.96 51.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.94 51.04 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -102.9 22.02 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -46.59 -35.11 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.2 p -104.75 -29.0 10.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -59.85 -177.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.56 33.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.99 -24.7 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 p -49.39 -67.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.18 -55.39 15.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.411 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.4 m95 -53.22 -34.8 58.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 161' ' ' LEU . 1.9 mmt-85 -66.48 -51.34 57.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -56.14 -54.21 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.476 HD11 HG11 ' A' ' 108' ' ' VAL . 5.4 tt -59.83 -44.75 94.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 159' ' ' ILE . 19.7 ttmm -61.08 -39.87 91.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -64.81 -46.87 80.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -59.36 -45.02 92.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.788 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.4 m -74.21 -25.11 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.27 -40.81 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -86.12 -28.03 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 162' ' ' ALA . . . -51.26 -30.72 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -130.15 99.65 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -85.03 -21.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -45.99 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 161' ' ' LEU . 42.4 mt-10 -50.98 -48.25 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' A' ' 69' ' ' LEU . 5.3 m-85 -65.94 -44.7 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -51.13 -49.75 60.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -43.6 74.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.16 -37.3 61.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' HD11 ' A' ' 27' ' ' ILE . 4.1 t80 -81.9 -41.93 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 t -52.14 -49.98 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 162' ' ' ALA . 1.9 pp -70.58 -24.97 62.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.79 127.67 33.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.99 -22.04 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -20.21 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 50.3 69.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.15 -17.6 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 29.85 3.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 27' ' ' ILE . 4.5 t -163.21 161.53 24.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 111.18 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' C ' ' A' ' 26' ' ' THR . 1.6 mm -120.46 107.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -84.1 159.66 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.92 -36.61 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -53.8 -55.47 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.2 mt-10 -56.32 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -47.03 -46.59 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.92 -64.19 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.509 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.4 m -54.52 -32.31 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 31' ' ' GLU . 50.4 t -62.37 -55.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 2.7 mmt -62.13 -36.98 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -82.66 0.42 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.769 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -105.28 20.47 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.85 18.54 80.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.505 HE22 ' NE2' ' A' ' 167' ' ' GLN . 11.3 tt0 -110.14 162.29 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -113.48 74.75 2.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.694 0.759 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.52 17.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -109.01 172.0 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.15 -41.29 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.69 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.22 -50.19 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 HD23 ' A' ' 32' ' ' LEU . 17.6 mt -61.9 -57.17 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -52.78 -48.09 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.64 -61.0 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.531 ' HG2' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -48.32 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 29' ' ' THR . 50.3 mm -51.02 -47.24 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -62.32 -24.68 67.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.08 -23.01 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 52' ' ' ILE . 20.6 m -114.51 23.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -149.43 100.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.62 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -36.77 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.24 42.78 11.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.563 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -91.42 -21.19 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 9.64 48.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.86 145.25 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 68' ' ' PHE . 3.1 mt -85.2 136.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.453 ' O ' HG22 ' A' ' 63' ' ' ILE . 2.3 t0 -80.34 -169.79 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -71.53 -60.87 2.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.61 -30.7 22.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.525 ' HB3' HG23 ' A' ' 63' ' ' ILE . 3.0 mt-10 -48.94 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 39.6 t80 -45.94 -43.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.808 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.3 mm? -55.1 -49.8 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 66' ' ' PRO . 15.7 p -60.44 -46.36 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -53.64 -55.72 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -64.04 -50.13 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -22.34 44.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -56.65 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -74.03 -17.42 60.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.2 ttp -57.02 -24.83 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.58 -31.04 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.43 100.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -51.93 -39.65 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.5 109.11 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -93.17 10.91 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.04 -41.77 94.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -55.43 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.82 -48.4 81.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.496 HG23 ' HE1' ' A' ' 141' ' ' PHE . 50.2 mt -52.51 -69.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -47.04 -51.23 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.655 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -52.36 -36.33 53.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.6 -60.4 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -20.03 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -81.8 -39.2 24.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.3 m -79.03 -24.16 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CE1' HG11 ' A' ' 163' ' ' VAL . 19.1 m-85 -71.21 -33.08 69.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.66 90.48 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -23.31 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -23.14 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.94 51.03 25.91 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -90.53 -11.86 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.99 0.8 30.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -147.64 167.5 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.634 HG21 HD13 ' A' ' 105' ' ' LEU . 96.5 mt -115.71 123.13 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -95.74 159.5 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -52.56 -29.64 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.81 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.2 mt-10 -59.33 -42.91 92.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.634 HD13 HG21 ' A' ' 100' ' ' ILE . 7.5 tp -66.73 -63.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.585 ' CB ' HG21 ' A' ' 121' ' ' VAL . 6.6 ptm180 -49.79 -34.0 18.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -76.07 -36.62 58.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 104' ' ' GLU . 4.1 t -64.18 -39.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtm -82.48 -38.58 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -67.15 -44.37 79.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -56.87 -31.14 64.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.18 -16.34 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.98 -5.27 30.55 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.09 101.06 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -66.08 121.27 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -127.54 160.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.569 HG22 ' OE2' ' A' ' 120' ' ' GLU . 7.3 t -110.13 163.76 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.51 -31.91 25.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.55 -43.77 96.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -59.28 -65.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.1 t -51.7 -47.98 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.68 -33.33 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -68.97 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.0 ptm -51.05 -42.08 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.411 HD11 HD22 ' A' ' 105' ' ' LEU . 22.2 mm -68.04 -40.53 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -63.77 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.3 -37.37 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -11.13 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -119.4 104.95 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.31 -43.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -20.38 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.11 36.41 92.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.42 10.88 20.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 13.94 76.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -133.46 130.01 38.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -93.08 114.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -90.05 164.74 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.516 ' O ' HG13 ' A' ' 142' ' ' VAL . 89.5 t80 -68.86 -46.02 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -48.82 -44.72 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -85.16 -33.18 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.7 t80 -51.61 -46.4 63.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 146' ' ' THR . 2.9 m -68.08 -29.36 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.51 -28.33 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.712 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 7.4 tmm? -65.44 -24.38 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.9 tpt -96.78 4.79 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 142' ' ' VAL . 34.8 p -107.68 50.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.56 51.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.7 21.83 8.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.7 t -46.38 -47.8 18.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.4 p -95.84 -27.95 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.11 33.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.3 -24.83 5.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 m -49.2 -69.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.02 -56.17 10.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -52.8 -34.88 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -51.72 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 92' ' ' PHE . 4.1 tt -55.58 -43.82 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 163' ' ' VAL . 13.0 ttpt -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.717 HD22 ' HB2' ' A' ' 15' ' ' ALA . 7.1 mt -71.36 -35.24 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -74.1 -42.01 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.769 HG12 ' HG ' ' A' ' 39' ' ' LEU . 21.1 m -72.55 -34.07 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -83.59 -30.41 27.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -81.77 -50.4 4.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -56.66 -32.33 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.505 ' NE2' HE22 ' A' ' 41' ' ' GLN . 9.6 tp-100 -109.11 110.17 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.22 -23.3 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.14 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 161' ' ' LEU . 27.6 mt-10 -51.89 -52.68 48.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.477 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.6 m-85 -63.19 -44.39 95.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -50.73 -50.79 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.56 -51.09 60.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 72' ' ' MET . . . -49.64 -33.6 15.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -90.93 -26.06 19.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 t -63.78 -50.46 68.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pt? -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.41 138.97 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -83.95 -55.49 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -94.15 -21.06 19.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.74 49.63 67.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -79.4 -4.53 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.0 17.33 9.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.51 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -170.23 165.06 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.623 HG22 HD23 ' A' ' 32' ' ' LEU . 7.5 mt -131.63 127.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -90.03 161.96 15.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.482 ' HA ' HD11 ' A' ' 32' ' ' LEU . 7.8 p -48.32 -34.84 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.2 -58.14 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.6 mt-10 -51.31 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -52.56 -51.35 60.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.27 -55.29 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -65.82 -34.38 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 31' ' ' GLU . 77.1 t -60.06 -49.21 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -69.32 -47.82 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.8 -23.54 67.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -19.05 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.677 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -93.57 19.94 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -7.04 82.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.33 155.43 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -119.65 67.59 10.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.09 24.79 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -109.94 -179.3 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.38 -44.51 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.01 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.12 -59.19 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.8 -54.66 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.95 -38.48 62.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.25 -58.99 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.52 -59.03 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.735 HD11 ' CD2' ' A' ' 32' ' ' LEU . 33.5 mm -50.5 -60.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -57.32 -22.0 39.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -84.63 -25.3 28.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.7 m -119.68 25.96 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -134.88 105.18 6.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.79 -14.67 31.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -40.79 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 42.81 4.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.35 6.38 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.462 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.96 31.08 71.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -143.22 162.5 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 32' ' ' LEU . 5.4 mt -102.56 133.13 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.2 -172.2 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -71.16 -60.57 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.72 -29.93 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -51.57 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -48.92 -57.16 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' PHE . 3.6 mt -50.19 -43.5 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.8 m -59.14 -47.6 84.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -58.96 -48.0 83.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mtm -61.15 -59.44 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.24 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -56.83 -23.86 46.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -69.48 -11.26 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -27.27 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.13 -30.65 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -77.14 150.06 35.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.86 -45.85 3.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -64.19 132.6 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -99.91 -22.25 15.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.45 -38.76 45.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -56.49 -57.94 10.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.35 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.53 HG21 HG12 ' A' ' 142' ' ' VAL . 46.0 mm -49.5 -70.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -45.58 -46.07 14.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 91' ' ' VAL . 50.7 tp10 -53.17 -41.84 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.41 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.39 -21.52 36.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -78.87 -44.54 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.0 m -74.04 -23.7 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.1 m-85 -74.2 -38.89 63.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.58 90.76 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.94 -48.34 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -20.74 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.81 34.67 90.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -69.95 -19.94 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.96 16.17 11.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -154.51 133.18 12.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.737 HG21 HD13 ' A' ' 105' ' ' LEU . 81.3 mt -97.57 115.68 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -93.65 164.07 13.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.99 -30.21 33.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.81 -56.97 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.6 mt-10 -58.31 -42.14 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -67.11 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -29.75 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.3 -43.6 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.0 t -61.44 -42.09 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtm -75.22 -46.61 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 m -62.11 -29.07 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.68 -20.48 56.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.39 -16.65 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.0 tp10 -57.47 109.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 112.68 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 120' ' ' GLU . 3.1 mp -112.34 155.21 24.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.7 p -107.18 161.51 14.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -51.5 -36.38 44.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.18 -45.83 91.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.517 ' CG ' HD23 ' A' ' 116' ' ' LEU . 11.9 tp10 -52.75 -68.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.55 -38.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.47 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -56.03 -35.49 66.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.471 ' HE3' ' CE2' ' A' ' 156' ' ' TRP . 17.3 mmm -53.52 -58.82 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 105' ' ' LEU . 28.3 mm -67.12 -32.88 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -64.5 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -86.72 -41.88 13.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.96 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -97.2 98.97 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -13.47 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.92 -20.63 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.82 48.53 75.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -100.19 -7.9 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.02 8.57 61.56 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.75 132.71 29.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -90.22 132.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.48 166.51 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG13 ' A' ' 142' ' ' VAL . 37.6 t80 -64.77 -43.8 92.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 142' ' ' VAL . 11.9 mt-10 -49.02 -53.52 19.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.16 -30.13 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 62.4 t80 -52.76 -48.74 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 HG21 ' A' ' 85' ' ' ILE . 3.2 m -65.8 -25.41 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.91 -22.08 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.442 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.6 mpp? -64.36 -14.47 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.5 ttp -110.38 10.89 23.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.3 p -120.38 47.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.66 51.12 1.44 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -95.42 21.15 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.7 p -49.24 -49.97 40.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.9 p -82.93 -14.22 54.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.577 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.63 -177.37 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.75 33.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.91 -24.4 6.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.9 m -52.43 -67.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.58 -43.8 53.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' TRP . . . . . 0.701 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 97.1 m95 -64.25 -29.96 71.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -71.74 -52.47 17.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.19 -48.54 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.3 tt -63.11 -43.94 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.482 ' N ' HG23 ' A' ' 159' ' ' ILE . 11.5 tmtt? -66.23 -38.75 88.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 11' ' ' GLU . 7.1 mt -64.6 -43.07 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.825 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -66.15 -53.53 36.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' VAL . . . . . 0.677 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -59.62 -34.39 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -77.09 -38.3 52.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.52 97.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.436 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -53.36 -27.55 24.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.735 0.302 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -90.22 72.28 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.47 -21.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.8 -39.15 52.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -53.42 -47.88 69.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -70.0 -45.36 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -51.22 -51.21 56.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 6.6 tp10 -72.5 -39.24 67.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.719 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.48 -38.35 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -85.99 -42.99 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 p -51.24 -45.76 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.2 pp -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -70.02 -69.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -78.72 114.91 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -89.73 -24.24 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.11 -20.05 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.833 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.6 48.49 65.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -98.04 -20.5 17.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 27.6 5.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -170.18 165.04 9.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.187 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.487 HG22 HD23 ' A' ' 32' ' ' LEU . 3.5 mp -132.34 127.9 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -98.35 168.0 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.404 ' HA ' HD21 ' A' ' 32' ' ' LEU . 7.0 p -51.14 -32.16 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -54.95 40.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.691 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -54.53 -68.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -49.4 -39.76 33.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.46 -56.16 24.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 -31.68 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 31' ' ' GLU . 94.3 t -63.75 -41.12 91.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.618 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 73.9 mtm -79.77 -36.56 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.41 -27.51 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -78.52 -3.26 42.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.782 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.4 OUTLIER -97.8 20.0 12.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.97 18.24 75.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -110.51 165.0 12.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.905 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -119.07 71.53 11.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.708 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.11 41.66 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.753 2.302 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -110.09 170.11 8.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.19 -36.93 53.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.1 87.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -56.78 -46.76 81.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD22 HD12 ' A' ' 32' ' ' LEU . 13.8 mt -62.59 -60.47 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -51.76 -40.23 59.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -60.91 -58.35 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 mtt -51.21 -55.63 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.808 HD11 HD21 ' A' ' 32' ' ' LEU . 47.9 mm -50.56 -58.74 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.27 -21.75 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -83.52 -25.35 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.574 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -112.31 24.79 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.51 117.82 32.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.63 -16.88 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.15 -40.03 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.73 50.33 2.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.36 -20.19 13.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 30.16 9.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 p -141.74 154.67 45.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.151 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 55' ' ' VAL . 4.4 mt -98.58 122.45 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -173.04 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.99 -59.78 4.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.1 Cg_endo -69.81 -31.58 20.04 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -51.2 -64.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -51.3 -49.82 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -47.66 50.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.6 m -64.47 -39.83 94.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttp -57.57 -57.75 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.85 -29.43 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.12 -26.45 27.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -55.0 -26.09 34.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -36.67 49.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.3 tpp -52.5 -29.58 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -37.49 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -64.0 147.39 52.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -54.49 -34.31 61.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -153.26 173.73 15.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -92.17 6.21 47.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -50.68 -46.43 58.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -49.92 -56.41 10.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.33 -48.26 79.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.427 HD11 ' CE ' ' A' ' 145' ' ' MET . 91.6 mt -51.35 -70.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -48.64 -40.16 26.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.647 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 mm-40 -57.65 -39.5 77.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.92 -60.55 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.27 -22.54 61.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -78.96 -41.88 28.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 87' ' ' GLU . 30.1 m -76.09 -23.47 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.658 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-30 -72.4 -47.79 46.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.82 90.23 2.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 pttm -55.99 -34.04 65.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.73 -20.42 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.78 28.08 67.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -69.91 -15.99 63.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.2 6.98 27.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -148.65 149.63 31.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.937 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.484 HG21 HD13 ' A' ' 105' ' ' LEU . 86.3 mt -105.73 123.98 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 t -94.7 161.96 13.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.07 -37.83 55.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.6 -59.57 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -51.97 -60.35 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 4.6 tp -50.64 -51.95 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.687 ' O ' HG23 ' A' ' 110' ' ' THR . 15.4 mtm180 -51.17 -55.72 16.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -53.93 -39.29 65.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 104' ' ' GLU . 73.8 t -62.71 -42.85 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -71.28 -48.83 48.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.1 p -61.67 -46.86 87.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -50.29 -55.99 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -59.7 -21.07 60.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.988 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.55 27.46 10.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 99.75 12.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -51.89 117.14 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.63 145.67 45.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.4 p -104.15 166.15 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -51.78 -42.94 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.06 -44.49 96.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -51.8 -70.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.653 HG21 ' HG2' ' A' ' 106' ' ' ARG . 85.8 t -53.45 -45.25 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -50.91 -54.78 21.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -60.27 -42.89 96.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.569 ' CE ' HD21 ' A' ' 105' ' ' LEU . 2.9 ttt -51.76 -56.35 14.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.6 mm -65.36 -34.39 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -29.28 70.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -89.66 -39.3 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.95 -18.52 60.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.067 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -111.94 102.52 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.71 -43.61 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.77 -20.45 63.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.96 40.75 93.48 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.571 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.92 9.07 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.44 14.93 79.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -135.44 133.29 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 26.2 t -97.12 118.07 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -91.67 162.89 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.622 ' O ' HG13 ' A' ' 142' ' ' VAL . 79.4 t80 -65.63 -46.0 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.496 ' O ' HG22 ' A' ' 142' ' ' VAL . 24.4 tt0 -48.96 -48.46 43.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -82.09 -27.75 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.431 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 43.6 t80 -58.33 -38.86 77.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.622 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.0 m -72.58 -24.95 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.68 -19.85 64.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.72 -17.59 49.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.427 ' CE ' HD11 ' A' ' 85' ' ' ILE . 1.5 ptm -110.36 11.12 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 26.2 p -109.74 28.82 8.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.51 51.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.13 21.61 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.9 m -48.48 -50.19 32.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -15.72 56.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.609 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -83.51 -177.05 6.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.3 33.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.58 -26.08 5.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 57.8 m -49.45 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.541 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.64 -54.42 21.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.569 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.2 m95 -53.62 -33.84 56.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -54.15 21.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.559 ' HG2' HD22 ' A' ' 18' ' ' LEU . 18.1 tttt -54.36 -54.71 36.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.1 tt -59.04 -43.89 90.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.8 ttmt -61.71 -41.01 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.719 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.8 mt -64.52 -44.09 91.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.68 -46.12 91.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.782 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.7 m -73.98 -23.91 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -78.21 -40.66 36.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -83.76 -30.46 29.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.618 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.94 -30.16 23.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.713 0.292 . . . . 0.0 111.116 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -95.42 176.72 6.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -100.32 -27.91 13.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.739 0.304 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.5 -21.88 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.46 -47.88 56.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.589 ' HG2' HD21 ' A' ' 161' ' ' LEU . 2.4 tt0 -51.53 -53.89 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.32 -51.45 68.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -50.36 -44.12 54.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -65.36 -45.73 82.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.059 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -59.24 -32.46 70.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -75.47 -61.6 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 t -61.67 -18.05 57.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -49.56 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.617 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.8 t80 -87.62 -40.52 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -62.95 93.5 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -90.43 -19.32 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -20.49 59.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.75 50.36 54.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.2 -20.53 15.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.48 21.07 25.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -149.74 164.55 34.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.459 HG22 HD23 ' A' ' 32' ' ' LEU . 11.0 mt -131.49 136.15 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -100.13 165.76 11.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.498 HG23 HG13 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -53.3 -41.08 65.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -49.86 76.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.1 mt-10 -55.21 -68.13 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -50.16 -45.3 53.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -64.55 3.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.1 m -55.14 -38.84 68.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.143 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' GLU . 73.8 t -55.98 -45.59 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' HB1' ' A' ' 166' ' ' ALA . 19.0 mtt -68.93 -44.59 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -64.53 -24.03 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.69 ' HB3' HD12 ' A' ' 112' ' ' LEU . 68.3 m -60.22 -20.05 57.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.661 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -95.87 20.04 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.77 -4.31 79.88 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.523 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 159.1 35.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.731 0.301 . . . . 0.0 110.937 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.0 72.16 5.91 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 129.51 17.68 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -110.54 -179.75 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.65 -32.92 53.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.43 -45.12 77.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.06 -54.71 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 32' ' ' LEU . 12.8 mt -60.02 -56.13 25.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.54 -40.29 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -61.14 -59.57 5.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 0.4 OUTLIER -51.44 -59.76 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 32' ' ' LEU . 48.0 mm -51.09 -58.48 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -57.59 -22.24 43.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -86.08 -24.74 26.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.488 HG21 HG12 ' A' ' 63' ' ' ILE . 6.0 m -118.97 27.03 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -139.5 104.9 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.83 -14.89 30.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -40.91 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.77 44.69 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.473 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER -109.76 6.01 23.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.528 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.82 30.44 69.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.0 p -139.57 156.04 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 HG21 ' A' ' 55' ' ' VAL . 2.6 mt -102.62 117.36 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.91 179.16 4.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.634 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.9 t80 -66.88 -56.64 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -32.04 19.26 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -51.8 -65.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -51.29 -50.14 59.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -50.6 -41.17 54.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.3 m -68.47 -44.3 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -55.9 -44.49 78.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.4 mtp -76.92 -52.5 9.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.67 -28.22 8.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -54.08 -26.18 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -18.33 57.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.9 ttp -50.53 -30.96 14.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -52.34 -29.39 23.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.23 117.98 22.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -74.06 -9.81 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -51.81 103.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 p -99.34 -21.32 16.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.06 -40.04 57.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -55.47 -60.16 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -55.65 -55.09 36.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.593 HG23 ' HE1' ' A' ' 141' ' ' PHE . 80.3 mt -49.89 -70.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -46.38 21.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.7 mm-40 -53.31 -39.15 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.17 -61.24 2.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.061 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -59.18 -20.03 50.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -81.48 -40.5 23.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.7 m -77.97 -23.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.7 m-85 -76.06 -26.77 56.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -96.45 90.67 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -60.8 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.26 -20.36 63.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.24 35.43 90.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.521 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -69.8 -20.2 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.31 15.69 16.87 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.424 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -154.09 129.82 10.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.766 HG21 HD13 ' A' ' 105' ' ' LEU . 77.1 mt -90.24 116.91 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -95.3 170.17 9.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.57 -33.31 71.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.63 -63.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.1 mt-10 -51.08 -58.1 6.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 100' ' ' ILE . 3.9 tp -52.03 -47.76 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -52.1 -51.33 58.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -62.65 -34.9 78.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.633 HG11 HD11 ' A' ' 159' ' ' ILE . 91.4 t -62.15 -46.49 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.6 mmt -79.45 -23.98 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -76.01 -43.91 41.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -43.63 63.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 38' ' ' SER . 0.4 OUTLIER -64.1 -28.6 69.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.89 -19.59 27.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -54.92 112.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.951 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -68.37 115.8 8.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -118.49 150.3 39.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.59 164.08 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.64 -37.67 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.88 -40.54 95.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -57.82 -69.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.0 t -51.51 -46.22 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.23 -31.11 69.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.429 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 41.4 tt0 -73.86 -62.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.489 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.3 ptm -51.05 -38.18 49.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.451 HD11 HD22 ' A' ' 105' ' ' LEU . 28.1 mm -72.13 -50.24 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -56.95 -28.7 62.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -90.24 -33.49 16.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.74 -1.6 51.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -119.66 106.74 12.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.403 HD12 ' HG2' ' A' ' 140' ' ' GLU . 28.7 mt -64.03 -45.45 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -20.51 58.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.39 37.92 86.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -91.29 12.19 21.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.77 11.83 80.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -130.74 129.65 42.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.44 134.3 30.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -110.28 -179.33 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.26 -58.03 4.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -50.64 -32.6 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 130' ' ' ILE . 18.7 mt-10 -85.52 -30.57 23.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.593 ' HE1' HG23 ' A' ' 85' ' ' ILE . 49.9 t80 -64.34 -42.81 96.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.71 -26.03 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -58.9 -19.99 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -62.43 -16.67 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.7 ttm -110.8 10.88 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.4 p -113.38 50.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 93.77 51.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.585 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.18 21.2 6.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 11.0 p -49.19 -50.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 21.2 p -94.17 21.04 7.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.148 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.585 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -109.62 -177.63 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.67 32.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.146 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.73 -25.11 6.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -66.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.795 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.17 -52.52 31.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.416 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.0 m95 -55.55 -34.74 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -49.69 63.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -55.45 34.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.633 HD11 HG11 ' A' ' 108' ' ' VAL . 5.3 tt -57.99 -43.75 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 159' ' ' ILE . 22.8 ttmt -64.58 -36.52 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.059 HD22 ' HB2' ' A' ' 15' ' ' ALA . 2.7 mt -66.26 -43.99 84.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.88 -49.93 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.661 HG12 ' CD1' ' A' ' 39' ' ' LEU . 21.8 m -64.97 -32.56 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -71.94 -60.18 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -61.41 -29.66 72.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' ' 36' ' ' MET . . . -51.07 -37.69 47.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -75.85 138.8 41.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.563 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -106.05 164.04 12.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 25.2 mttp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.8 mt -78.57 -21.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.22 -42.37 40.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -52.03 -56.03 16.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.575 ' CG ' HD11 ' A' ' 69' ' ' LEU . 26.9 m-85 -60.51 -42.66 96.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -51.38 -53.76 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.03 -45.9 86.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.065 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -54.39 -37.64 65.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -74.78 -46.18 38.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.1 t -52.96 -49.94 65.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 15' ' ' ALA . 2.7 pp -68.87 -13.33 62.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -64.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -87.14 120.15 28.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.93 -21.23 22.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.7 -20.39 22.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.07 46.79 76.67 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.82 -20.01 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.35 23.74 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.3 t -168.89 163.78 11.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.302 . . . . 0.0 111.148 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.604 HG23 ' CB ' ' A' ' 31' ' ' GLU . 4.7 mt -132.32 131.5 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 30' ' ' LYS . 15.3 t -97.11 167.92 10.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.438 ' HA ' HD21 ' A' ' 32' ' ' LEU . 8.0 p -50.43 -32.03 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' H ' HG23 ' A' ' 28' ' ' THR . 56.3 tttt -60.73 -58.07 10.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' CB ' HG23 ' A' ' 27' ' ' ILE . 3.2 mt-10 -53.48 -67.58 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -50.33 -36.33 31.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.33 -65.34 3.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.452 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 t -60.05 -41.01 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 112' ' ' LEU . 75.8 t -58.2 -46.72 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.441 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.4 ttp -68.1 -36.25 79.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -73.42 -23.21 60.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.0 m -60.95 -17.81 53.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 ' HG ' HG12 ' A' ' 163' ' ' VAL . 1.0 OUTLIER -93.37 20.23 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.25 82.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -92.51 154.51 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -113.74 73.67 2.26 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.838 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.91 18.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 p -111.08 179.37 4.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -52.21 -35.94 50.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.75 -46.72 74.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -57.87 -57.62 11.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.673 HD22 HD12 ' A' ' 32' ' ' LEU . 21.6 mt -57.25 -50.16 73.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.33 -46.22 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.3 -60.18 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -49.42 -60.3 2.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.747 HD11 HD21 ' A' ' 32' ' ' LEU . 39.2 mm -51.91 -55.49 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -55.89 -25.25 41.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -89.59 -20.27 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.598 HG21 HD12 ' A' ' 63' ' ' ILE . 15.4 m -118.79 30.34 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -144.17 106.31 4.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.28 29.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -40.81 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.15 47.27 3.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.18 11.99 21.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.957 0.408 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.484 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 60.52 30.66 72.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.5 p -150.73 163.46 38.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.598 HD12 HG21 ' A' ' 55' ' ' VAL . 13.5 tt -116.7 143.01 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -91.32 -176.1 4.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.4 OUTLIER -69.82 -58.52 5.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.64 0.734 . . . . 0.0 110.874 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.6 Cg_endo -69.77 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.61 -48.26 19.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HA ' HD11 ' A' ' 63' ' ' ILE . 4.7 t80 -62.75 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -61.93 -27.05 68.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -78.69 -49.75 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.402 ' CB ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.59 -19.89 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.3 ttp -88.98 -56.62 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.9 -30.6 15.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -54.38 -28.86 46.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.5 tttp -85.54 -24.6 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -25.94 40.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -52.05 -30.06 23.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -60.88 141.13 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.8 t -100.42 9.99 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -108.83 112.51 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.4 m -97.85 -19.21 18.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -54.73 -34.56 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -57.89 -62.0 2.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.71 -46.47 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.425 HG23 ' HE1' ' A' ' 141' ' ' PHE . 28.4 mm -52.41 -71.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -48.89 -45.23 40.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.65 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.4 mm-40 -54.66 -36.71 64.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.17 -60.79 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.164 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.98 -20.68 58.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.1 mtp85 -80.79 -41.21 23.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.6 m -76.37 -25.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.592 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.5 m-85 -73.82 -32.85 63.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -87.93 90.47 8.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -53.12 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -69.12 -20.55 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.9 36.02 90.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -69.88 -20.12 63.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.04 13.66 20.94 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -153.67 129.6 10.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.733 HG21 HD13 ' A' ' 105' ' ' LEU . 98.0 mt -89.97 123.24 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 t -101.05 172.86 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.68 -28.13 68.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -57.57 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 108' ' ' VAL . 37.0 mt-10 -58.47 -44.58 89.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.733 HD13 HG21 ' A' ' 100' ' ' ILE . 2.6 tp -64.13 -63.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -50.73 -31.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -73.85 -39.47 63.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 104' ' ' GLU . 42.0 t -65.36 -41.33 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -48.96 27.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.6 m -58.57 -44.1 89.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -55.94 -34.24 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.577 HD11 HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -62.99 -21.4 66.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.2 -18.35 28.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -82.44 135.56 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.902 0.382 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -92.67 128.4 38.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.6 OUTLIER -114.61 164.81 13.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -110.03 162.15 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -51.9 -37.65 53.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -62.13 -37.68 86.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -60.04 -69.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.5 t -52.15 -46.31 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.14 -33.83 72.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.53 -62.72 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.676 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 11.5 ptm -51.58 -37.12 48.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.548 HD11 HD22 ' A' ' 105' ' ' LEU . 21.8 mm -71.99 -42.9 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -63.34 -30.6 71.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.42 -30.59 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.92 -5.63 59.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -120.13 107.26 12.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.7 mt -62.74 -46.56 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.97 -20.5 57.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.57 90.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.5 11.04 23.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.35 10.07 86.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -127.33 129.79 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.77 132.19 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -110.44 -177.3 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -72.22 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -50.78 -31.47 17.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.404 ' HG2' HD12 ' A' ' 130' ' ' ILE . 17.9 mt-10 -87.5 -31.62 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 85' ' ' ILE . 43.2 t80 -62.73 -43.2 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 m -67.11 -25.37 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -57.65 -20.89 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -61.03 -17.74 53.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 12.7 ttp -108.76 10.48 26.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.4 p -111.79 49.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.45 50.9 2.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.86 21.31 6.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.2 t -49.53 -49.75 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.7 p -85.16 -11.28 55.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -77.88 -177.72 5.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -89.46 33.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.16 -26.15 4.48 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.434 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.6 m -49.97 -63.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.883 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.682 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.77 -51.43 39.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.47 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 90.2 m95 -57.6 -29.84 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.36 -48.44 55.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.682 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.6 tt -64.58 -43.95 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 159' ' ' ILE . 31.2 ttpt -61.86 -38.39 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.065 HD23 ' HB2' ' A' ' 15' ' ' ALA . 1.1 mp -68.84 -44.67 72.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.699 HG12 ' HG ' ' A' ' 39' ' ' LEU . 18.7 m -74.4 -30.64 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -74.51 -42.05 59.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.86 -32.59 36.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -50.71 -39.61 51.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -105.84 118.53 36.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.46 -38.25 52.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.786 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.59 -23.2 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -45.39 62.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -51.99 -68.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -52.31 -42.52 63.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -51.49 -46.67 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' CD ' HD23 ' A' ' 18' ' ' LEU . 2.8 tm-20 -71.91 -38.92 69.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.058 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -56.1 -40.09 73.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -81.67 -43.53 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 t -51.11 -47.58 61.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -70.09 -38.52 75.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -110.24 95.04 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -73.35 -25.15 60.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.91 -20.15 53.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.73 50.0 55.79 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -97.92 -20.25 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 29.67 6.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -169.44 162.59 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 111.112 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.505 HG22 HD23 ' A' ' 32' ' ' LEU . 6.9 mt -130.66 122.27 52.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -96.39 168.95 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.499 HG23 HG13 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -54.25 -38.31 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -58.6 -46.12 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.712 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.2 tt0 -58.63 -68.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -51.46 -43.3 62.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.05 -57.2 15.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.5 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 m -63.18 -31.49 72.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.9 t -60.66 -53.89 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.576 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 21.2 ptp -72.84 -29.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -72.36 -29.35 63.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -81.83 0.31 39.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.682 ' CD2' HG12 ' A' ' 163' ' ' VAL . 1.3 mp -94.17 17.49 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.08 17.21 79.96 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -108.54 170.7 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.931 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -116.55 77.24 7.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 140.07 42.04 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.745 2.296 . . . . 0.0 112.384 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -110.37 174.05 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.65 -39.62 92.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.61 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -58.8 -50.5 73.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD22 HD12 ' A' ' 32' ' ' LEU . 13.1 mt -61.75 -58.22 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -53.22 -39.38 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -61.66 -58.87 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.487 ' CE ' ' HB2' ' A' ' 168' ' ' ALA . 3.2 tpt -50.99 -54.78 21.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 32' ' ' LEU . 39.0 mm -51.31 -58.78 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -60.76 -20.69 61.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -85.41 -23.71 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.3 m -119.3 22.71 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -135.22 100.76 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.47 -18.31 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.74 16.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.54 47.52 21.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -92.92 -20.89 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.94 11.63 36.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.16 150.83 39.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 ' CD1' HD13 ' A' ' 52' ' ' ILE . 2.0 mt -93.36 135.13 28.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -84.79 179.07 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.62 -56.82 11.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.633 0.73 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.3 Cg_endo -69.82 -30.78 21.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -51.43 -65.49 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -50.61 -50.78 53.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -41.04 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.1 m -66.11 -47.59 73.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.69 -50.82 67.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.3 ttp -68.08 -50.47 54.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.33 -35.53 38.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.087 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -53.15 -28.54 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -58.07 -27.56 63.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 ttp -52.55 -31.06 33.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.88 -32.36 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -95.39 132.64 40.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 m -88.01 -39.74 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -58.06 109.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 m -97.0 7.36 46.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.5 -40.89 93.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -59.89 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -53.48 56.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.4 mm -51.72 -70.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.25 -43.69 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' HG13 ' A' ' 91' ' ' VAL . 6.1 tm-20 -55.07 -40.2 70.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -64.3 -60.88 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -59.64 -20.89 59.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -80.38 -40.15 27.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.1 m -78.02 -23.97 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.664 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.2 m-85 -79.18 -21.15 46.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -99.98 91.24 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -48.7 -63.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.36 -20.33 63.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.03 36.4 92.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -69.99 -17.35 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.383 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.15 12.93 16.61 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -153.34 130.72 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.347 . . . . 0.0 110.954 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.677 HG21 HD13 ' A' ' 105' ' ' LEU . 96.1 mt -89.61 122.56 41.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -94.92 164.36 12.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.64 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.43 -55.4 35.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.675 ' O ' HG23 ' A' ' 108' ' ' VAL . 48.4 mt-10 -54.11 -62.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.677 HD13 HG21 ' A' ' 100' ' ' ILE . 4.4 tp -51.97 -39.71 59.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.714 ' CD ' HG21 ' A' ' 121' ' ' VAL . 5.3 mmm180 -56.4 -56.12 25.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -65.73 -25.42 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.9 t -66.73 -47.54 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.8 mtt -86.29 -19.6 29.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.3 m -81.87 -46.38 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.072 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -56.21 -32.65 64.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -21.19 62.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 -18.2 28.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.01 96.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -62.35 113.12 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -121.0 158.51 27.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.19 164.54 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.196 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -51.36 -32.84 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -64.12 -40.06 95.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -61.61 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.714 HG21 ' CD ' ' A' ' 106' ' ' ARG . 98.7 t -53.0 -47.88 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.16 -33.84 74.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.54 -62.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.493 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 8.7 ptm -52.41 -42.15 63.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 29.4 mm -69.14 -35.73 69.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 ttp85 -68.01 -33.08 73.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -87.28 -30.42 20.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.19 -25.31 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.87 99.55 10.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.0 mt -65.64 -37.02 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -20.79 39.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.76 40.54 85.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.3 10.92 30.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.43 14.89 77.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -138.52 134.1 33.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.935 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.9 t -92.79 135.79 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -110.12 164.11 12.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.1 t80 -65.21 -47.06 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 142' ' ' VAL . 45.1 mm-40 -48.32 -51.83 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.15 -30.52 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -53.2 -48.36 68.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.2 m -66.8 -22.49 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -62.91 -20.17 64.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 mpp? -61.23 -17.45 53.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.8 mtm -109.89 11.06 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.2 p -111.08 32.42 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 109.41 51.26 0.67 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.98 21.04 7.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.6 t -48.76 -50.37 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 8.8 t -82.55 -15.54 51.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.171 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.44 -176.73 4.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.11 33.44 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.17 -26.11 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 22.8 t -49.26 -67.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.505 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.22 -55.05 17.15 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -53.53 -33.12 53.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . 0.439 ' O ' HD13 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -68.1 -53.41 25.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.677 ' HG3' HD22 ' A' ' 18' ' ' LEU . 19.8 ttpt -55.12 -54.03 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.57 HD11 HG11 ' A' ' 108' ' ' VAL . 4.8 tt -59.56 -44.19 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.462 ' N ' HG23 ' A' ' 159' ' ' ILE . 27.1 tptp -61.12 -42.78 99.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.058 HD23 ' HB2' ' A' ' 15' ' ' ALA . 6.5 mp -63.86 -41.86 97.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.8 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.682 HG12 ' CD2' ' A' ' 39' ' ' LEU . 20.2 m -74.67 -23.81 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -82.32 -26.39 33.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -90.29 -41.17 5.57 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.462 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.54 -39.46 57.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.096 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -94.74 151.96 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.487 ' HB2' ' CE ' ' A' ' 51' ' ' MET . . . -85.11 -68.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 28.2 mttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.34 -24.38 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.81 -44.22 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -51.51 -63.41 1.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -55.18 -42.13 72.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -51.32 -51.47 54.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 18' ' ' LEU . 2.9 tm-20 -72.8 -33.97 66.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.04 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.99 -40.9 77.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.662 ' CD1' HD11 ' A' ' 27' ' ' ILE . 5.5 t80 -85.61 -42.81 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -50.73 -47.43 59.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pp -67.14 -28.94 68.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -60.14 3.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -69.08 111.42 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -69.52 -25.85 64.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.14 -20.5 11.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.53 50.26 61.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -81.26 -6.61 59.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.88 17.37 9.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -170.23 163.43 8.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.078 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 16' ' ' PHE . 9.1 mt -125.37 124.19 66.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -93.74 167.78 11.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' HD21 ' A' ' 32' ' ' LEU . 12.5 p -53.26 -31.8 45.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -59.32 -54.93 41.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -55.18 -68.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.817 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -50.15 -36.09 28.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.4 -62.91 5.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 t -63.63 -37.88 89.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 31' ' ' GLU . 92.8 t -63.24 -37.38 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.676 ' HA ' ' HB1' ' A' ' 166' ' ' ALA . 5.5 ttp -73.22 -46.46 50.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -19.9 62.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.499 ' CB ' HD12 ' A' ' 112' ' ' LEU . 3.6 m -57.58 -22.29 44.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.694 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -94.51 20.49 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.59 18.16 62.51 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -91.85 162.95 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -124.65 67.44 49.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 131.39 21.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -110.74 179.74 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -51.77 -41.72 61.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.57 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -61.45 -59.52 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.636 HD22 HD12 ' A' ' 32' ' ' LEU . 23.2 mt -54.72 -54.46 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -55.19 -42.61 73.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.32 -59.96 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.0 mtt -51.82 -57.7 8.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.753 HD11 HD21 ' A' ' 32' ' ' LEU . 47.0 mm -50.85 -59.38 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -57.49 -23.56 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -84.38 -23.84 29.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG21 HG12 ' A' ' 63' ' ' ILE . 6.1 m -116.69 25.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.93 103.04 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.47 -20.67 58.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -110.41 -40.21 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.65 50.61 2.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -103.01 -20.13 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.48 9.44 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.1 p -142.86 178.87 7.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG12 HG21 ' A' ' 55' ' ' VAL . 4.0 mt -116.41 134.31 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -91.71 -175.51 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -68.28 -59.72 5.8 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.637 0.732 . . . . 0.0 110.93 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.74 -32.0 19.5 Favored 'Trans proline' 0 C--N 1.34 0.106 0 C-N-CA 122.747 2.298 . . . . 0.0 112.335 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -51.07 -66.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -50.49 -49.7 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -39.51 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.7 m -69.51 -46.6 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -54.62 -44.45 73.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.6 ttp -75.86 -49.85 16.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.59 -27.29 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -55.37 -30.5 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -24.67 66.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.21 -28.43 26.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -51.84 -30.17 22.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -58.57 -178.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -97.5 -69.82 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -102.98 159.6 15.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.4 p -99.21 10.01 42.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -49.77 -42.07 45.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.19 -56.66 14.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -58.19 -52.92 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 mm -49.36 -71.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -47.63 -45.77 28.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.657 ' O ' HG13 ' A' ' 91' ' ' VAL . 21.5 mt-10 -53.11 -38.66 62.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.48 -61.27 2.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -59.96 -19.91 54.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -81.79 -38.32 25.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 87' ' ' GLU . 29.1 m -80.49 -23.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' HE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -72.38 -46.24 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -81.31 90.59 6.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -50.06 -57.29 7.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.4 -20.43 63.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.09 34.18 88.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.77 -19.53 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.26 15.85 11.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -154.59 129.88 9.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.944 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 105' ' ' LEU . 76.9 mt -92.24 120.04 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 t -95.18 -179.89 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -71.84 -30.0 65.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.55 -58.88 5.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.5 mt-10 -58.87 -41.13 86.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 100' ' ' ILE . 10.9 tp -65.74 -63.18 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -51.6 -31.86 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -75.34 -37.91 60.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 104' ' ' GLU . 20.7 t -65.44 -42.14 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.0 mtm -76.74 -43.86 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 m -65.01 -31.05 72.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -56.72 -34.45 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.534 HD11 HG13 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.63 -13.45 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.01 -14.28 31.44 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.509 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.42 157.74 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -116.78 156.61 26.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -159.08 158.14 32.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -111.23 170.26 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 117' ' ' THR . 83.7 m-20 -51.99 -38.15 55.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.27 -39.54 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -58.31 -70.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.61 HG11 ' HB1' ' A' ' 102' ' ' ALA . 15.5 t -51.41 -47.69 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.7 -63.46 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.621 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 13.6 ptm -50.72 -40.22 53.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.5 mm -68.02 -47.53 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -57.64 -34.35 69.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -29.49 26.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.59 8.98 25.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -120.45 122.97 41.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.2 mm -71.43 -42.63 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.5 -20.46 23.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.81 50.45 24.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.66 -15.95 16.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.13 4.71 29.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -119.8 129.47 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.81 122.92 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -105.26 -170.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -71.09 -60.27 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -52.44 -28.61 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.4 -27.63 21.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -71.44 -42.27 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.37 -26.37 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.53 -21.7 27.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -63.17 -15.8 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.53 10.84 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.4 p -113.66 48.84 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.73 50.8 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.42 20.95 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.6 p -49.17 -50.41 37.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -83.62 -12.35 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.628 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -78.52 -177.64 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -88.78 33.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.28 -26.91 5.15 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 42.3 m -49.58 -65.51 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.434 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.23 -55.31 16.32 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.457 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -53.19 -35.22 59.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -66.49 -50.2 64.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -57.74 -55.25 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.541 ' O ' HG13 ' A' ' 163' ' ' VAL . 4.8 tt -57.69 -42.89 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 159' ' ' ILE . 23.2 mtpp -65.04 -38.98 92.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.04 HD22 ' HB2' ' A' ' 15' ' ' ALA . 36.1 mt -65.57 -39.7 91.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -67.85 -50.27 57.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.2 m -66.0 -29.77 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -73.22 -56.81 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.09 -24.83 74.61 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.548 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.676 ' HB1' ' HA ' ' A' ' 36' ' ' MET . . . -51.23 -31.96 22.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.757 0.313 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -102.76 177.48 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -99.22 -39.9 8.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 23.0 tttp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mt -90.18 -22.15 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.82 -49.7 58.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -50.17 -49.64 51.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CG ' HD11 ' A' ' 69' ' ' LEU . 9.7 m-85 -61.53 -47.6 84.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -51.75 -45.85 63.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 18' ' ' LEU . 1.6 mp0 -69.49 -38.5 77.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD23 ' A' ' 161' ' ' LEU . . . -57.25 -45.71 83.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -74.42 -44.08 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -51.46 -49.73 61.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -74.3 -17.34 60.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -136.43 144.23 44.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -90.6 0.93 57.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -21.05 63.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.11 48.89 38.33 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.415 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.38 -20.09 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.937 0.399 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.4 15.94 59.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.4 t -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 2.8 mp -134.35 124.32 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.06 165.91 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.578 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -52.8 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -49.14 -31.34 8.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.3 tt0 -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -58.29 -29.91 66.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.4 -62.81 5.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.43 -43.62 93.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.103 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 31' ' ' GLU . 68.7 t -54.14 -50.82 52.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.6 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 8.6 ttp -65.35 -45.0 85.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -63.47 -23.47 67.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.791 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 -17.76 58.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.694 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -94.27 19.83 8.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 -5.31 85.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -69.17 174.98 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -145.42 68.61 13.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.566 0.698 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 146.95 61.22 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.3 p -109.99 174.67 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -53.11 -49.33 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.39 -39.61 76.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -58.28 -56.16 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.25 -57.46 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -52.17 -41.79 62.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.34 -60.18 4.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttt -49.9 -56.61 9.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 29' ' ' THR . 35.1 mm -49.37 -62.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -56.02 -23.65 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -83.19 -23.79 32.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -116.61 22.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -131.1 96.21 3.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -16.85 61.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 -23.89 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.77 48.05 87.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -82.91 -19.75 36.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.31 8.12 25.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -147.31 169.45 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.754 0.312 . . . . 0.0 111.127 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' HD13 ' A' ' 52' ' ' ILE . 1.3 mt -100.97 121.59 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.18 175.44 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.26 -56.54 12.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 52.9 Cg_endo -69.83 -31.99 19.14 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -51.11 -65.24 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -54.63 -39.42 67.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -62.99 -29.16 70.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.945 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.2 m -78.92 -47.1 17.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -19.9 61.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 tmm? -89.93 -56.75 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.64 34.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -54.11 -27.4 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.84 -21.55 61.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -51.74 -30.21 21.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -52.33 -29.82 25.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -94.64 101.54 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.9 p -64.92 -25.04 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.111 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.78 98.29 9.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -92.84 10.09 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -60.43 -33.36 72.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.807 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -59.67 -60.91 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -59.46 -47.82 84.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.426 HG23 ' HE1' ' A' ' 141' ' ' PHE . 71.9 mt -53.63 -70.57 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -46.98 -49.11 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 91' ' ' VAL . 16.5 tp10 -53.59 -37.23 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -66.08 -60.92 2.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -58.78 -21.52 56.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -80.06 -41.73 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -76.59 -23.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.571 ' HE1' HG11 ' A' ' 163' ' ' VAL . 23.1 m-85 -72.55 -45.71 57.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -71.94 90.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.812 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -50.65 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -22.35 63.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.97 48.39 54.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -82.71 -14.08 55.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.53 8.76 24.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.439 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -152.46 147.56 26.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.812 0.339 . . . . 0.0 110.991 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.977 HG21 HD13 ' A' ' 105' ' ' LEU . 84.0 mt -103.18 113.24 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.078 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -92.27 167.4 12.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.56 63.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.78 -67.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.7 ' O ' HG23 ' A' ' 108' ' ' VAL . 69.5 mt-10 -51.57 -50.96 59.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.977 HD13 HG21 ' A' ' 100' ' ' ILE . 5.6 tp -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -55.68 -51.26 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -62.6 -32.19 73.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.6 t -63.84 -58.71 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.85 -37.91 82.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.3 m -66.0 -32.7 74.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -47.98 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.426 HD21 HG13 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -59.76 -22.77 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.87 -18.94 28.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 152.06 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -113.4 124.71 53.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.5 pp -127.95 165.57 20.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.8 p -110.58 163.81 13.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -51.55 -36.46 45.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -39.17 93.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -57.39 -68.12 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -54.79 -48.09 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.23 -30.12 66.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.425 ' HG2' ' HB2' ' A' ' 152' ' ' ALA . 79.1 tt0 -74.33 -61.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.56 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.9 ptm -52.09 -33.69 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.4 HD11 HD22 ' A' ' 105' ' ' LEU . 23.9 mm -78.07 -43.0 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -62.4 -28.35 69.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.58 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.081 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -103.83 102.91 12.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -68.13 -34.63 67.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.44 -20.59 27.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.84 37.9 75.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.51 15.35 14.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.758 0.313 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.4 16.03 68.83 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -134.59 135.51 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.5 116.31 43.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -91.06 164.03 14.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.439 ' O ' HG13 ' A' ' 142' ' ' VAL . 68.4 t80 -65.12 -46.35 81.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.478 ' O ' HG22 ' A' ' 142' ' ' VAL . 25.0 mm-40 -48.36 -51.46 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.874 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.83 -29.21 44.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.426 ' HE1' HG23 ' A' ' 85' ' ' ILE . 42.3 t80 -54.18 -47.99 71.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.4 m -65.1 -24.13 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -60.07 -20.43 58.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -62.74 -16.13 56.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 ttp -110.2 11.09 23.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -114.14 40.99 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.48 50.88 1.17 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.528 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.612 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.58 21.07 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -50.33 40.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.2 t -81.06 -12.88 59.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.612 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -82.99 -177.26 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.56 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.54 33.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.85 -25.37 4.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.5 m -49.89 -67.57 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.789 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.53 -55.88 12.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.517 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.1 m95 -52.35 -36.96 54.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.62 -49.98 68.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.577 ' HB3' HD22 ' A' ' 18' ' ' LEU . 46.1 mtpt -58.47 -58.64 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.679 HD11 HG11 ' A' ' 108' ' ' VAL . 4.6 tt -53.55 -42.94 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' N ' HG23 ' A' ' 159' ' ' ILE . 32.2 ttpt -65.11 -44.36 89.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.061 HD23 ' HB2' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -62.57 -31.86 72.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.738 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.24 -53.77 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.694 HG12 ' HG ' ' A' ' 39' ' ' LEU . 16.7 m -62.28 -30.31 48.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -83.44 -60.12 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.61 53.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.6 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -50.54 -40.04 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -102.74 137.21 41.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -62.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.77 0.319 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.7 mm -72.09 -23.55 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.48 -46.21 63.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -53.41 -56.55 15.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -59.93 -47.55 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -50.83 -46.3 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -74.69 -37.07 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.076 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.04 -42.83 73.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -84.06 -45.41 13.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.7 m -51.99 -38.13 55.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.828 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 158' ' ' LYS . 1.2 pp -76.3 -27.85 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -64.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -64.3 128.87 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -90.03 -24.18 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.02 -21.06 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 36.99 93.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.419 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 p30 -77.71 -12.73 60.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.12 19.02 8.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.525 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 t -167.89 169.0 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 111.157 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mt -131.32 122.11 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.9 t -89.9 168.12 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.701 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.97 -41.91 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -51.95 -58.35 6.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.8 mt-10 -51.66 -64.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 51' ' ' MET . 0.4 OUTLIER -48.9 -40.94 31.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.87 -66.97 2.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.8 t -54.82 -36.61 65.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' GLU . 53.8 t -59.68 -56.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.63 ' HG3' ' HB1' ' A' ' 166' ' ' ALA . 7.5 ttm -58.49 -41.7 85.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.5 ttt-85 -69.89 -24.65 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 112' ' ' LEU . 2.3 p -58.1 -20.44 40.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.742 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.8 OUTLIER -97.37 20.15 12.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.48 -8.21 75.74 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.402 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -65.07 158.14 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -119.81 70.16 13.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.21 19.01 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.677 2.252 . . . . 0.0 112.354 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -110.26 174.92 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -48.58 -49.12 37.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.26 -41.18 79.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.72 -56.21 22.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 29' ' ' THR . 31.1 mt -53.63 -59.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -54.59 -36.36 64.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.07 -62.71 1.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' A' ' 168' ' ' ALA . 4.5 tpp -51.38 -56.78 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.651 HG13 HG23 ' A' ' 29' ' ' THR . 34.0 mm -50.57 -62.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -56.43 -22.71 33.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -83.15 -25.61 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG21 HG12 ' A' ' 63' ' ' ILE . 5.6 m -113.7 26.04 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -107.47 115.55 30.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.08 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -90.59 -40.37 11.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.7 50.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -102.47 -20.1 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.56 23.39 9.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.6 p -139.61 169.47 17.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 111.147 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.466 HG12 HG21 ' A' ' 55' ' ' VAL . 4.5 mt -107.18 124.13 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.45 -178.13 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -66.78 -56.61 13.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.7 Cg_endo -69.81 -33.82 15.62 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.263 . . . . 0.0 112.293 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -51.39 -66.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -49.81 -49.12 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.26 -45.54 62.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.5 m -64.78 -41.94 95.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.54 -54.35 46.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.15 -31.95 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.13 -19.92 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -54.07 -27.94 35.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -60.9 -19.09 59.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.5 ttm -53.84 -26.93 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.984 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -51.48 -30.54 20.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -138.53 175.76 9.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -61.28 -39.54 90.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.69 39.14 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.6 p -97.06 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.778 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HA ' HD12 ' A' ' 85' ' ' ILE . 25.2 mt-10 -57.25 -50.08 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -50.19 -57.43 7.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -54.31 -51.02 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.723 HG21 HG12 ' A' ' 142' ' ' VAL . 20.7 mt -51.61 -71.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -47.97 -38.87 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.54 ' O ' HG13 ' A' ' 91' ' ' VAL . 19.3 tt0 -58.44 -41.13 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.69 -60.79 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.07 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -57.28 -24.78 57.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -76.13 -44.82 36.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.808 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -73.98 -22.86 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.2 m-30 -77.81 -38.41 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -84.89 90.48 7.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -51.7 -61.01 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -69.95 -20.74 63.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.26 37.06 94.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.6 p-10 -69.52 -19.36 63.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 107.78 13.92 18.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -153.55 129.53 10.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.5 mt -96.74 121.32 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -97.3 167.03 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -30.61 62.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.26 -66.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 108' ' ' VAL . 25.7 mt-10 -51.38 -55.96 15.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.552 HD21 ' CE ' ' A' ' 124' ' ' MET . 7.4 tp -51.58 -44.45 62.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -57.49 -51.74 68.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -63.08 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 104' ' ' GLU . 85.9 t -68.11 -55.43 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.3 ttm -71.87 -28.37 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 m -77.17 -34.26 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -55.39 -25.94 38.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -77.92 -30.1 50.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 26.3 5.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -108.84 104.35 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -66.76 117.0 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 121' ' ' VAL . 0.8 OUTLIER -111.46 167.26 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -104.88 157.85 16.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -52.55 -39.75 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.37 -43.65 98.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.04 -69.79 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 116' ' ' LEU . 91.2 t -54.41 -44.9 68.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.76 -68.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -51.97 -36.1 48.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.552 ' CE ' HD21 ' A' ' 105' ' ' LEU . 5.7 ttt -54.92 -59.5 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.455 HG21 ' HA2' ' A' ' 134' ' ' GLY . 28.2 mm -60.72 -43.02 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.214 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -61.39 -28.52 69.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -90.32 -24.09 20.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 136' ' ' VAL . . . -83.82 -29.37 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -104.5 115.11 29.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.448 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -55.97 -22.84 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.07 -21.83 20.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.72 42.48 91.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -94.11 -10.11 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.455 ' HA2' HG21 ' A' ' 125' ' ' ILE . . . 110.37 -2.81 29.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -118.16 130.8 56.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 110.936 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 128' ' ' ALA . 24.8 t -104.94 115.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -93.41 -175.42 3.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.447 ' O ' HG13 ' A' ' 142' ' ' VAL . 9.6 t80 -69.61 -62.15 1.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.53 -31.69 36.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -84.69 -24.48 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.445 ' CE1' HG23 ' A' ' 85' ' ' ILE . 36.5 t80 -75.28 -34.23 61.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.723 HG12 HG21 ' A' ' 85' ' ' ILE . 3.8 m -76.49 -22.17 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.39 -20.77 31.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -62.66 -15.95 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.3 ttp -110.55 11.11 23.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 35.1 p -116.24 49.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.35 51.81 1.81 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.8 21.38 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.061 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.5 p -49.74 -50.11 45.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.7 t -93.36 19.37 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -110.65 -177.64 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -89.51 32.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.74 -27.48 6.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 75.1 m -51.44 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -50.18 -52.46 27.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.484 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 98.7 m95 -57.65 -35.54 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.74 0.305 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . 0.417 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 12.3 mmt180 -66.31 -40.92 90.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 18' ' ' LEU . 33.9 ttpt -67.11 -53.42 30.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.729 HD11 HG11 ' A' ' 108' ' ' VAL . 7.1 tt -56.89 -46.32 83.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.513 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -67.8 -33.24 74.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.076 HD22 ' HB2' ' A' ' 15' ' ' ALA . 11.6 mt -67.83 -36.92 81.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.533 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.3 -47.47 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 39' ' ' LEU . 7.3 m -66.17 -31.17 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -76.91 -51.19 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.83 -25.6 75.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.63 ' HB1' ' HG3' ' A' ' 36' ' ' MET . . . -55.54 -38.3 69.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -107.43 114.93 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.575 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -62.75 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.58 -24.92 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.105 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.83 62.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -52.83 -63.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -56.66 -41.6 77.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -50.94 -53.15 35.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.63 -34.72 67.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.099 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.92 -39.42 71.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -88.51 -40.06 13.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -54.45 -37.45 65.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.5 pp -70.94 -22.63 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -81.24 -70.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -59.5 103.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -90.45 -23.33 21.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -20.51 33.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.45 50.8 47.3 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.534 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.85 -19.86 13.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.21 30.15 15.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -156.07 164.12 38.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 63' ' ' ILE . 2.6 mp -134.22 122.44 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -88.63 162.94 16.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.602 HG23 HG13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -53.37 -40.3 64.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 -179.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.66 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.9 mt-10 -60.46 -70.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD21 HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -50.49 -43.86 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.7 -64.97 3.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.0 m -53.08 -37.9 62.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 75.9 t -56.27 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.6 mmt -57.11 -42.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -62.39 -31.98 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -9.15 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.784 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.6 OUTLIER -93.77 20.14 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.95 15.39 79.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 -107.35 168.18 9.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -123.41 68.32 39.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.604 0.716 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.09 18.65 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 p -109.76 -179.77 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.93 -41.04 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.81 -39.78 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.16 -50.6 73.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' HB3' HG22 ' A' ' 29' ' ' THR . 13.0 mt -63.01 -56.03 20.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -54.49 -38.21 66.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.8 -59.63 4.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.17 9.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.803 HD11 HD21 ' A' ' 32' ' ' LEU . 45.8 mm -51.51 -55.29 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.077 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -60.89 -22.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -86.88 -22.88 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 m -117.47 23.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -138.59 105.12 5.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.87 -17.52 27.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -35.77 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.28 49.58 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -97.74 -21.2 17.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.84 11.37 55.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.56 142.5 32.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 111.119 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 27' ' ' ILE . 2.7 mt -82.05 138.75 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.39 179.58 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.24 -56.87 11.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.739 ' O ' HG23 ' A' ' 70' ' ' THR . 54.1 Cg_endo -69.66 -32.62 18.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -50.2 -66.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -49.89 -43.51 49.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -46.56 71.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 66' ' ' PRO . 11.0 p -65.52 -46.26 80.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.6 ttp -52.34 -52.88 50.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.9 ttp -69.41 -48.1 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.57 -30.08 19.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.46 -28.52 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -90.05 -25.98 20.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.85 -25.7 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.18 -29.87 24.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.06 106.72 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.3 m -51.63 -31.74 26.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -85.0 103.94 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 m -85.0 3.12 40.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -51.66 -37.13 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -55.7 -59.76 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.47 -53.32 59.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 85.9 mt -49.57 -70.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -47.01 -46.08 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.653 ' O ' HG13 ' A' ' 91' ' ' VAL . 13.1 mm-40 -53.39 -39.37 64.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.61 -60.91 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -59.89 -19.8 53.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -82.4 -37.84 24.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.7 m -80.38 -23.32 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.61 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.1 m-85 -72.38 -29.51 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.65 89.07 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -56.05 -52.73 63.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -69.62 -20.99 63.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.99 42.22 99.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.525 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -78.51 -16.57 57.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 6.11 28.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -151.81 141.09 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.925 HG21 HD13 ' A' ' 105' ' ' LEU . 96.2 mt -90.63 132.38 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.7 m -108.56 165.29 11.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.22 -18.41 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.28 -71.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pt-20 -55.87 -41.58 74.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.925 HD13 HG21 ' A' ' 100' ' ' ILE . 4.7 tp -57.99 -57.58 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.785 ' HG2' HG21 ' A' ' 121' ' ' VAL . 33.7 mtp180 -53.21 -44.98 68.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.486 ' HA ' HG22 ' A' ' 110' ' ' THR . 11.5 m-70 -64.49 -40.29 95.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 26.3 t -59.76 -46.1 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 107' ' ' HIS . 6.5 t -50.5 -31.53 15.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.53 -60.23 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.95 -15.85 63.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.2 10.37 39.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.34 107.86 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.379 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -54.98 111.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.52 134.21 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.9 p -110.09 177.74 4.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.152 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -52.21 -35.85 50.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -63.8 -49.53 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.04 -64.87 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.785 HG21 ' HG2' ' A' ' 106' ' ' ARG . 69.3 t -51.46 -51.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.81 -28.31 63.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.28 -59.82 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.58 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -53.64 -38.07 63.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.43 HD11 HD22 ' A' ' 105' ' ' LEU . 20.4 mm -72.98 -44.86 56.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -62.9 -27.26 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.2 -40.24 12.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.91 62.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.171 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.07 98.42 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -14.35 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.28 -20.78 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.99 47.04 48.78 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -107.05 11.21 29.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.58 18.0 69.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -136.32 132.7 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.951 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.14 124.07 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -104.71 163.54 12.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG13 ' A' ' 142' ' ' VAL . 72.9 t80 -58.7 -42.22 88.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 142' ' ' VAL . 7.6 tm-20 -49.28 -58.39 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.16 -25.92 58.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -56.19 -48.5 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.1 m -66.74 -22.96 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.23 -19.87 63.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -62.79 -16.11 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.15 10.92 23.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.3 p -109.53 29.78 7.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.86 51.31 0.57 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -93.76 21.25 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -50.76 41.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.75 -19.61 37.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.499 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -74.17 -177.21 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -86.12 34.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.51 -24.0 5.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 55.1 m -49.79 -67.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.27 -52.31 32.65 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -56.94 -29.82 63.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.7 -61.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.794 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -49.4 -49.16 46.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 155' ' ' GLY . 6.2 tt -63.9 -44.89 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.485 ' N ' HG23 ' A' ' 159' ' ' ILE . 38.4 ttmt -60.99 -39.6 90.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.099 HD22 ' HB2' ' A' ' 15' ' ' ALA . 27.6 mt -67.2 -43.98 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.432 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -61.28 -41.4 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.784 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.5 m -79.07 -25.35 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -81.26 -28.83 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -92.8 -49.81 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.475 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.456 ' HB2' HG11 ' A' ' 35' ' ' VAL . . . -50.98 -31.29 17.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.703 0.287 . . . . 0.0 111.094 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -76.21 150.89 37.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -112.54 169.09 9.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.44 -22.31 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.62 62.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -51.06 -52.28 44.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -64.38 -42.77 95.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.795 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -51.36 -49.75 60.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.63 -38.55 70.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.061 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -56.75 -35.84 69.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -51.2 -47.62 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.34 -28.92 65.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -58.05 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -72.12 110.51 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -84.1 -26.08 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.16 -20.18 21.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.52 40.37 97.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.6 -20.81 28.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.13 12.51 19.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.1 p -150.31 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.155 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.475 HG22 HD23 ' A' ' 32' ' ' LEU . 2.6 mp -136.35 120.98 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -93.58 170.64 9.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.613 HG23 HG13 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -56.62 -40.85 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -55.69 -41.01 73.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.5 tt0 -64.22 -69.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -50.77 -52.84 36.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.17 -52.6 35.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -64.11 -30.52 71.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 31' ' ' GLU . 42.7 t -64.03 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 ptp -67.04 -30.94 71.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 t -83.48 0.91 44.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 35' ' ' VAL . 2.4 mp -92.45 17.58 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.2 64.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.527 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -114.79 163.21 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -117.7 68.48 6.05 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.662 0.744 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 160.86 48.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -110.66 173.88 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -69.8 -28.57 65.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.98 -55.74 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.71 -39.47 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.53 -59.2 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -51.65 -45.14 63.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -58.42 -54.71 43.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.9 tpp -51.73 -59.82 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.697 HD11 HD21 ' A' ' 32' ' ' LEU . 38.4 mm -51.5 -58.48 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.067 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -55.45 -25.38 36.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -83.78 -25.84 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.498 HG21 HG12 ' A' ' 63' ' ' ILE . 5.2 m -113.42 25.17 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.056 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -138.43 107.48 6.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.23 -16.36 29.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -40.5 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.77 49.51 3.13 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.36 6.16 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.9 30.57 70.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.451 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.2 p -140.75 149.22 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.498 HG12 HG21 ' A' ' 55' ' ' VAL . 3.9 mt -100.34 122.98 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -76.4 -174.08 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -70.2 -60.2 3.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.7 0.762 . . . . 0.0 110.839 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.4 Cg_endo -69.74 -29.47 23.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -50.84 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.88 -47.93 51.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tp -51.99 -50.95 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.2 m -58.52 -47.11 85.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.0 ttp -56.35 -41.23 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.9 mtp -70.78 -62.55 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.53 18.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -56.2 -26.99 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -20.73 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.2 ttt -56.09 -24.9 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -51.66 -30.3 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.98 163.69 1.9 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -70.46 -32.11 69.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -151.67 175.5 12.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.1 p -95.89 10.21 38.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -51.8 -38.5 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -55.59 -60.09 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.38 -52.83 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.438 HG21 ' HB ' ' A' ' 142' ' ' VAL . 66.5 mt -48.71 -70.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -46.89 -43.33 18.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' O ' HG13 ' A' ' 91' ' ' VAL . 24.7 mt-10 -54.79 -41.11 70.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.47 -60.74 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -57.94 -20.64 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -80.99 -44.25 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -72.76 -24.44 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.6 m-30 -71.22 -57.77 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -70.68 91.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -49.14 -51.34 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.16 -20.41 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.41 35.8 61.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -70.8 -10.55 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.61 8.11 25.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.545 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -153.11 140.98 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 0.0 110.922 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.7 mt -101.2 126.35 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 m -100.01 160.95 13.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.24 -32.06 22.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.24 -54.38 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 108' ' ' VAL . 31.6 mt-10 -61.26 -41.41 96.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.578 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.3 tp -65.9 -64.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.811 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -51.15 -33.85 28.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -70.98 -41.85 70.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 104' ' ' GLU . 31.2 t -64.9 -36.32 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.4 ttm -80.91 -31.38 35.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.9 m -77.18 -33.63 56.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.193 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.81 -52.69 47.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -20.37 57.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.42 29.86 5.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.441 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -96.95 108.27 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.36 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -77.76 112.47 14.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.59 173.28 6.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.42 161.34 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -51.59 -40.28 59.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -62.51 -39.84 94.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.91 -69.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.4 t -56.99 -44.38 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -51.2 -56.53 12.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -61.32 -40.11 92.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.511 ' HE2' HD21 ' A' ' 105' ' ' LEU . 27.7 mtp -52.46 -55.38 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.3 mm -65.36 -41.96 92.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -59.06 -29.44 67.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.55 -37.46 13.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.95 -2.75 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -117.2 110.24 17.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.492 HD12 ' HG2' ' A' ' 140' ' ' GLU . 29.6 mt -62.5 -47.54 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.19 -20.71 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.42 48.04 72.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.29 -16.45 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.96 3.77 29.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -122.26 129.46 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.916 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 t -97.01 114.64 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -90.31 178.67 6.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.454 ' O ' HG12 ' A' ' 142' ' ' VAL . 7.7 t80 -70.72 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -50.99 -34.2 28.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 130' ' ' ILE . 20.1 mt-10 -83.52 -30.86 26.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -63.32 -56.34 17.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 138' ' ' TYR . 2.7 p -69.19 -24.1 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -75.64 -18.96 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.7 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 3.2 tmm? -73.26 -31.78 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -8.71 58.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 16.3 p -89.81 50.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.96 50.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.52 21.16 9.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 90.3 p -45.91 -49.87 15.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.9 p -92.56 -23.89 18.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.43 -176.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -84.74 34.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.37 -24.3 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.4 t -52.41 -70.09 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.47 -39.99 45.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.578 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 96.3 m95 -67.34 -30.64 70.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.679 0.276 . . . . 0.0 110.875 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' A' ' 160' ' ' LYS . 23.5 ttp180 -72.07 -46.85 55.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -64.21 -46.52 83.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 155' ' ' GLY . 7.6 tt -63.62 -47.78 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.1 ptpp? -66.29 -34.21 77.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.061 HD22 ' HB2' ' A' ' 15' ' ' ALA . 18.3 mt -69.68 -36.96 76.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -70.54 -47.69 59.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.55 HG21 HG21 ' A' ' 91' ' ' VAL . 7.6 p -63.78 -41.99 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.173 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.698 ' HD2' HD23 ' A' ' 161' ' ' LEU . 8.1 ptp180 -72.66 -33.81 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -67.68 -47.86 59.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . . . -64.97 -39.61 93.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 111.053 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -115.22 111.44 20.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -107.0 171.73 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.1 mt -76.65 -22.2 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.14 -48.14 61.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -51.65 -55.49 19.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -54.89 -48.7 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -50.58 -56.65 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.08 -41.29 78.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.16 -43.33 82.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -48.58 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 t -51.3 -49.84 60.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.715 HD11 ' HB2' ' A' ' 162' ' ' ALA . 0.6 OUTLIER -69.07 -23.81 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.591 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.35 -50.79 20.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -97.89 122.21 40.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -89.69 -30.23 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.16 -20.17 59.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.33 43.67 97.15 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -94.65 -20.1 19.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.9 29.17 5.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -169.2 163.1 10.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.43 123.83 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 29' ' ' THR . 3.4 m -89.35 161.23 16.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -47.33 -41.18 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -55.85 -55.4 33.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.0 mt-10 -56.37 -62.07 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -49.4 -49.64 43.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.6 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.09 -60.48 7.57 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 m -59.28 -36.12 74.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 31' ' ' GLU . 40.5 t -59.68 -60.89 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.67 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.1 ptp -65.39 -25.05 67.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm-85 -79.07 -24.53 43.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.56 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.71 ' CD1' HG12 ' A' ' 163' ' ' VAL . 0.7 OUTLIER -93.84 20.41 7.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.26 0.18 89.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.497 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -77.06 147.94 36.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -114.22 72.44 2.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 139.87 41.3 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.668 2.245 . . . . 0.0 112.327 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 p -110.39 175.27 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -50.88 -48.1 60.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.54 85.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -58.64 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.738 ' HB3' HG22 ' A' ' 29' ' ' THR . 25.6 mt -53.09 -55.76 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -55.11 -37.71 67.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.8 -62.34 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -51.57 -57.81 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.684 HG13 HG23 ' A' ' 29' ' ' THR . 31.5 mm -50.78 -60.33 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -56.3 -24.2 41.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -83.65 -24.76 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.46 HG21 HG12 ' A' ' 63' ' ' ILE . 4.5 m -116.29 25.21 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -133.94 108.71 8.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.65 -16.11 29.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.94 -40.21 18.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.65 18.82 29.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.47 5.28 35.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.387 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.7 30.63 69.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.8 p -134.43 165.44 25.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.744 0.307 . . . . 0.0 111.158 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 55' ' ' VAL . 4.7 mt -106.46 118.64 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.197 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.54 -173.88 4.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -69.95 -59.48 4.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.687 0.756 . . . . 0.0 110.901 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.77 -30.27 22.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -51.85 -66.4 0.39 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -50.56 -46.63 57.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.95 -51.08 59.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -60.13 -43.44 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.184 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.78 -62.21 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.1 ttp -59.7 -51.39 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.23 -30.22 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -51.86 -52.52 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.92 -26.79 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -20.73 59.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.57 -30.35 20.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -52.64 141.4 20.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.8 m -73.26 -54.23 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.62 119.64 19.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -96.16 9.51 40.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -51.18 -36.15 39.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -56.14 -60.02 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -59.75 -53.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.516 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.8 mm -48.79 -70.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -47.07 -48.68 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.673 ' O ' HG13 ' A' ' 91' ' ' VAL . 36.6 mt-10 -51.29 -38.08 50.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.61 -51.22 58.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.55 -19.13 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -35.01 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.2 m -80.4 -28.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CE1' HG11 ' A' ' 163' ' ' VAL . 23.2 m-30 -74.04 -41.88 61.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -77.6 90.63 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.81 -63.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -69.33 -20.44 63.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.04 35.66 90.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -69.97 -20.52 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.11 15.6 11.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -153.67 138.27 16.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.717 HG21 HD13 ' A' ' 105' ' ' LEU . 90.7 mt -100.9 119.55 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 m -98.17 -178.03 3.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.445 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -66.54 -28.21 68.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.32 -59.96 4.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 108' ' ' VAL . 15.7 mt-10 -60.06 -44.31 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.731 HD22 HD11 ' A' ' 125' ' ' ILE . 2.4 tp -61.36 -64.67 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.656 ' O ' HG23 ' A' ' 110' ' ' THR . 10.2 ptm180 -50.96 -35.22 32.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -66.05 -44.4 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 104' ' ' GLU . 55.3 t -64.54 -38.84 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 mmt -67.17 -61.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 106' ' ' ARG . 29.5 p -53.15 -44.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -51.44 -45.19 62.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HB1' ' A' ' 162' ' ' ALA . 0.1 OUTLIER -61.67 -26.56 68.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.24 30.48 3.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -126.69 89.9 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.38 130.63 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.41 169.63 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 m -110.1 161.8 15.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -51.64 -37.64 51.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -62.52 -38.55 90.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.61 -67.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.445 HG11 ' HB1' ' A' ' 102' ' ' ALA . 74.6 t -53.84 -50.29 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -56.16 -34.43 66.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.48 -63.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.577 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.1 ptm -51.36 -32.31 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.731 HD11 HD22 ' A' ' 105' ' ' LEU . 15.7 mm -70.94 -60.47 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -54.03 -27.36 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -87.15 -31.54 20.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.433 ' HB3' HG22 ' A' ' 136' ' ' VAL . . . -76.31 -21.86 55.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -110.31 120.1 41.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 130' ' ' ILE . 0.2 OUTLIER -66.33 -17.56 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -21.71 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.03 43.83 94.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -90.56 -10.09 44.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.54 0.19 40.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -124.79 130.0 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 128' ' ' ALA . 16.2 t -97.12 112.09 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.06 164.95 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.474 ' O ' HG13 ' A' ' 142' ' ' VAL . 77.5 t80 -62.83 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 142' ' ' VAL . 0.4 OUTLIER -48.83 -55.82 10.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -75.38 -28.94 59.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.516 ' HE1' HG23 ' A' ' 85' ' ' ILE . 40.3 t80 -53.98 -49.1 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 139' ' ' GLU . 3.3 m -64.85 -21.59 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.8 -19.72 65.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -61.71 -17.23 54.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -110.41 10.74 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.7 p -111.25 34.92 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 107.59 50.85 0.78 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -96.47 21.22 9.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -49.14 -50.35 37.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 65.8 p -80.15 -13.78 58.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.073 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.624 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.98 -177.15 6.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.23 33.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.29 -25.98 4.57 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 t -49.82 -67.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.954 0.407 . . . . 0.0 110.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.56 -52.34 24.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.621 ' CH2' HD21 ' A' ' 105' ' ' LEU . 92.9 m95 -55.76 -35.5 66.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 160' ' ' LYS . 14.8 tpp180 -68.35 -40.76 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.583 ' HG2' HD22 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -68.06 -53.03 28.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.611 ' O ' HG13 ' A' ' 163' ' ' VAL . 6.1 tt -58.9 -45.02 92.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.502 ' HA ' HG22 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -67.96 -33.96 75.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.087 HD22 ' HB2' ' A' ' 15' ' ' ALA . 10.9 mt -68.57 -36.0 78.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.715 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -74.44 -46.27 40.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.71 HG12 ' CD1' ' A' ' 39' ' ' LEU . 11.7 m -67.29 -32.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.481 ' NE ' HD23 ' A' ' 161' ' ' LEU . 8.7 ptt180 -84.41 -31.3 24.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -79.47 -27.66 54.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.52 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.67 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -52.24 -40.11 61.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.731 0.3 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -121.13 -178.13 3.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -93.61 -69.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pm0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.72 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.2 -22.35 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.7 -48.17 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -50.88 -65.46 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -55.17 -41.33 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -49.42 -58.43 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 18' ' ' LEU . 5.1 tm-20 -66.51 -32.95 74.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.007 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -54.22 -51.58 64.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -77.62 -38.26 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -50.47 -48.4 56.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.913 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.4 pp -70.9 -27.42 63.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CD1' HG11 ' A' ' 35' ' ' VAL . 6.8 t80 -66.44 -18.55 65.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.61 102.04 10.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.92 -23.34 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.94 -20.74 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.14 46.92 92.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -77.78 -8.57 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.784 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.67 -1.34 45.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -164.57 165.49 21.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' A' ' 63' ' ' ILE . 3.5 mp -127.12 132.98 69.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 29' ' ' THR . 2.7 m -95.01 163.88 13.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.671 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.39 -42.18 31.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.198 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -58.66 -60.77 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-10 -53.44 -55.13 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -54.54 -49.54 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.601 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -51.45 -55.97 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -61.0 -34.42 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 54.2 t -67.77 -37.19 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.733 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.6 ptp -84.68 -19.63 32.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -90.16 -22.47 21.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -15.32 45.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.771 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.4 mm? -89.32 19.26 4.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 13.63 83.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.531 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -90.08 156.92 18.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -113.87 72.97 2.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.639 0.733 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 137.8 36.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 p -110.84 172.67 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.114 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -52.48 -44.65 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.09 -46.66 85.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -55.72 -59.33 5.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.564 ' HB3' HG22 ' A' ' 29' ' ' THR . 29.7 mt -51.97 -59.27 4.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -51.81 -41.67 61.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.13 -64.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 mtm -50.44 -59.85 3.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.671 HG13 HG23 ' A' ' 29' ' ' THR . 35.8 mm -49.25 -59.65 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.03 -27.45 32.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -80.19 -27.77 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 52' ' ' ILE . 4.4 m -109.36 23.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -129.82 108.09 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.51 -16.76 28.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.51 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 48.1 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.23 9.82 18.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.05 30.63 74.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.7 p -139.7 154.81 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -113.01 133.21 59.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 92.0 m-20 -93.34 173.51 7.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 2.0 t80 -63.26 -55.04 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.5 Cg_endo -69.77 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.7 2.267 . . . . 0.0 112.358 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.45 -58.27 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HB2' HD11 ' A' ' 63' ' ' ILE . 51.3 t80 -55.8 -48.98 74.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -47.79 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.2 m -65.25 -42.0 93.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -53.22 -57.1 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 11.0 ptm -70.68 -33.4 70.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.48 -33.56 31.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -56.32 -30.73 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.843 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.07 61.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -51.72 -30.5 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -52.04 -29.85 22.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -109.61 102.62 11.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 p -60.32 -25.04 65.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.09 101.36 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 m -95.2 7.1 47.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.54 -36.34 44.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -56.11 -59.85 4.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.799 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.54 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.623 HG23 ' HE1' ' A' ' 141' ' ' PHE . 83.4 mt -49.36 -71.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -47.56 -46.17 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.625 ' O ' HG13 ' A' ' 91' ' ' VAL . 34.9 mm-40 -53.14 -38.37 62.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.518 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.41 -61.13 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -59.56 -19.76 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -81.87 -40.13 22.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -77.76 -24.28 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' HE1' HG11 ' A' ' 163' ' ' VAL . 20.3 m-30 -73.27 -42.0 62.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.68 84.43 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -50.68 -53.17 33.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -70.1 -20.85 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.19 39.04 94.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -73.23 -16.12 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.12 4.75 29.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -151.9 134.72 15.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.888 0.375 . . . . 0.0 110.969 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.825 HG21 HD13 ' A' ' 105' ' ' LEU . 72.5 mt -86.8 133.67 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.0 m -110.24 164.87 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.88 -19.53 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.12 -70.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.669 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.2 pt-20 -58.66 -42.79 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.825 HD13 HG21 ' A' ' 100' ' ' ILE . 7.7 tp -55.18 -59.49 4.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -55.77 -42.25 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.433 ' HA ' HG22 ' A' ' 110' ' ' THR . 2.2 m-70 -62.98 -32.38 73.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 104' ' ' GLU . 54.5 t -72.97 -44.59 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.454 ' CB ' HD21 ' A' ' 116' ' ' LEU . 10.3 mmt -65.47 -38.86 91.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 107' ' ' HIS . 13.9 t -77.49 -33.86 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.14 -52.16 46.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -21.3 66.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.22 -6.81 39.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.63 115.43 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -81.76 111.33 17.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -124.93 168.85 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.481 HG23 ' H ' ' A' ' 120' ' ' GLU . 4.1 t -110.17 160.67 16.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -51.4 -36.44 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.88 -45.54 93.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.481 ' H ' HG23 ' A' ' 117' ' ' THR . 8.3 mt-10 -51.84 -70.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.1 -42.39 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.44 -56.74 10.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.19 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.8 ttt -55.62 -48.39 74.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.648 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -72.9 -50.08 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.188 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -56.07 -25.52 45.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -90.0 -39.31 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.87 -1.65 40.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -120.29 107.53 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.7 mt -62.97 -46.81 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.35 -20.65 57.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.31 37.6 86.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.62 11.73 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.82 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.63 9.77 86.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -127.05 129.54 48.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 110.947 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.0 t -96.33 122.74 48.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -100.72 164.43 11.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.21 -52.34 65.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -50.68 -37.15 39.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.71 -28.95 30.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.623 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.9 t80 -63.14 -47.7 81.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.82 -24.86 33.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -60.28 -22.95 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.414 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.3 mpp? -65.21 -14.07 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.9 ttp -110.54 10.95 23.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -120.61 48.74 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.76 50.95 1.58 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.76 21.03 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.069 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 57.5 p -48.48 -47.78 38.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 17.1 p -86.77 -14.82 41.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.616 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -79.24 -178.24 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -90.98 32.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.29 -26.4 6.7 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.4 m -50.89 -65.08 0.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.47 -53.19 25.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.524 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 95.3 m95 -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.905 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.28 -47.32 74.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.61 ' CG ' HD22 ' A' ' 18' ' ' LEU . 10.8 tttp -61.06 -56.01 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 163' ' ' VAL . 3.5 tt -57.35 -41.28 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.026 0.441 . . . . 0.0 111.192 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.46 ' HA ' HG22 ' A' ' 163' ' ' VAL . 37.1 ttmt -68.27 -36.62 79.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.895 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 1.007 HD22 ' HB2' ' A' ' 15' ' ' ALA . 20.0 mt -68.14 -35.41 78.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.913 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -73.95 -47.64 36.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.771 HG12 ' HG ' ' A' ' 39' ' ' LEU . 19.8 m -66.04 -33.52 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.557 ' HD3' HD23 ' A' ' 161' ' ' LEU . 8.7 ptm180 -82.23 -32.75 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.61 -26.52 58.83 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.733 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -72.08 -30.39 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -100.19 -16.68 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.43 131.1 28.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 15.6 pttm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.759 0.314 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -71.8 -21.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.59 -47.2 58.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.55 ' HG2' HD23 ' A' ' 161' ' ' LEU . 1.2 mt-10 -51.88 -55.05 22.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -56.65 -47.22 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -51.57 -63.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.798 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -52.19 -42.63 63.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.786 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -54.91 -51.54 65.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -62.22 -39.76 93.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -57.65 -50.4 73.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 18' ' ' LEU . 4.4 pp -76.69 -14.08 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -82.21 -69.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.45 141.39 58.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -85.31 -35.02 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.1 -20.76 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.78 50.41 66.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 p30 -81.35 -6.72 59.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.777 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.27 24.37 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -169.75 160.42 8.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.178 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.61 HG22 HD23 ' A' ' 32' ' ' LEU . 6.7 mt -130.25 127.78 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t -100.43 164.97 11.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 52' ' ' ILE . 1.1 p -48.45 -34.28 10.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -59.15 -54.13 50.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.678 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -54.31 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.785 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.764 HD21 HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -48.91 -44.94 40.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.71 -65.1 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -56.05 -37.99 70.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 19' ' ' PHE . 58.2 t -54.33 -66.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.751 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 17.9 ptp -60.58 -27.69 67.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ttp85 -74.55 -23.4 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.723 ' OG ' HD12 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -69.9 -10.92 60.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.742 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.1 mm? -92.67 -5.15 52.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.19 8.94 37.68 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -122.0 97.99 5.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.932 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -75.93 113.42 27.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 163.62 37.67 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.665 2.243 . . . . 0.0 112.28 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 47' ' ' GLU . 8.7 t -110.99 167.05 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -51.36 -47.76 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 44' ' ' THR . 10.9 mm-40 -59.67 -66.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.657 HD22 HD12 ' A' ' 32' ' ' LEU . 47.3 mt -49.56 -54.21 19.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.42 -42.58 74.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -61.28 -55.29 33.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.5 tpp -52.44 -59.44 4.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.764 HD11 HD21 ' A' ' 32' ' ' LEU . 46.7 mm -49.26 -58.55 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -60.61 -21.09 62.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -85.17 -23.28 28.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG21 HG12 ' A' ' 63' ' ' ILE . 11.3 m -114.25 24.58 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.72 100.5 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.38 -18.34 61.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.93 -35.55 6.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.44 50.24 4.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.46 -20.71 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.12 13.9 23.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -145.28 158.64 43.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG12 HG21 ' A' ' 55' ' ' VAL . 3.1 mt -93.52 136.38 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -94.86 -179.86 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.59 -57.17 10.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.9 Cg_endo -69.74 -33.85 15.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -51.67 -67.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -50.34 -50.09 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -46.03 36.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.6 m -66.91 -40.32 87.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ttp -56.27 -56.92 15.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.89 -32.96 73.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.54 71.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -59.54 -34.5 72.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -55.55 -27.18 47.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 ttt -58.05 -26.03 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -52.18 -52.34 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -75.45 102.01 5.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.8 p -56.31 -24.84 46.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.79 102.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -90.17 -23.39 21.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -48.81 -36.1 15.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.35 -58.72 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.39 -55.97 27.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.57 HG23 ' HE1' ' A' ' 141' ' ' PHE . 44.7 mm -49.08 -69.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -46.56 -52.63 13.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 91' ' ' VAL . 20.4 tp10 -49.76 -36.86 27.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -63.74 -57.3 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -63.67 -19.35 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -34.36 25.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.8 m -83.81 -25.08 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CE1' HG11 ' A' ' 163' ' ' VAL . 22.6 m-85 -75.44 -25.26 57.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -95.47 91.06 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -54.08 -62.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -68.98 -20.52 64.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.92 36.17 81.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.8 p-10 -71.43 -20.48 62.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.66 12.76 27.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.435 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -147.8 129.57 15.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.973 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 105' ' ' LEU . 73.1 mt -93.05 113.4 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.1 m -96.93 167.6 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.624 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -56.54 -32.27 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.077 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.87 -64.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.676 ' O ' HG23 ' A' ' 108' ' ' VAL . 29.7 mt-10 -52.25 -57.12 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 100' ' ' ILE . 5.9 tp -51.49 -42.06 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.671 ' CG ' HG21 ' A' ' 121' ' ' VAL . 43.7 mtm180 -58.8 -55.63 32.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -62.39 -26.75 68.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 104' ' ' GLU . 52.1 t -67.56 -53.81 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.8 mtm -77.72 -20.67 53.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -81.25 -39.87 24.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.45 -27.16 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.723 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -73.58 -18.75 61.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.44 -15.11 30.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.69 116.18 17.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.5 tttp -80.61 123.57 28.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -116.27 162.82 16.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 m -109.14 162.35 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.21 -35.38 49.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -63.34 -40.2 96.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.17 -65.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 106' ' ' ARG . 99.5 t -53.87 -47.2 64.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -60.51 -31.2 70.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -72.36 -63.23 1.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 10.3 ptm -51.49 -39.25 57.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 22.8 mm -69.58 -49.66 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -58.0 -29.58 65.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.826 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -89.58 -27.49 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.7 9.36 24.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -120.78 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.3 mm -70.5 -42.46 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.42 -20.56 25.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.04 50.27 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.2 -9.21 21.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.06 6.36 48.76 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.538 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -123.09 129.62 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 10.8 t -96.47 128.59 47.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -109.99 -169.75 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.477 ' O ' HG13 ' A' ' 142' ' ' VAL . 10.4 t80 -73.02 -60.46 2.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.32 -28.18 18.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -88.69 -28.32 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.57 ' HE1' HG23 ' A' ' 85' ' ' ILE . 45.1 t80 -71.59 -33.42 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.7 m -77.89 -26.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.49 -20.92 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -65.1 -13.71 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.12 10.88 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 p -114.93 46.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.21 51.04 1.8 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -94.49 21.18 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 91.8 p -50.13 -50.25 49.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.64 -22.23 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -67.62 -177.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -87.43 33.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.25 -24.54 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 p -50.38 -67.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.661 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.28 -49.99 42.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.403 ' CH2' HD21 ' A' ' 105' ' ' LEU . 89.7 m95 -58.9 -29.84 67.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -71.4 -59.37 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.85 -49.61 62.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.0 tt -62.9 -44.03 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 159' ' ' ILE . 34.0 ttmt -64.37 -34.22 77.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.786 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -72.11 -37.81 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -69.38 -41.21 76.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.742 HG12 ' HG ' ' A' ' 39' ' ' LEU . 36.0 m -73.12 -38.91 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.474 ' HD3' HD22 ' A' ' 161' ' ' LEU . 9.1 ptm180 -76.34 -30.88 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -88.65 -23.22 36.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.751 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.56 -38.88 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.714 0.292 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -113.81 -173.31 2.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -88.05 -50.3 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.811 0.339 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.56 -22.49 28.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.87 -46.78 60.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -64.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -51.55 -47.72 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -51.01 -57.99 7.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -54.79 -44.4 73.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.65 ' HB2' ' HG ' ' A' ' 161' ' ' LEU . . . -57.26 -38.53 74.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.07 -66.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 m -52.07 -26.74 11.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.95 -70.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -7.27 59.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -106.38 86.86 2.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -14.69 32.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.25 -20.61 37.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.81 50.82 58.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.3 -20.39 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.22 26.12 22.16 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 t -153.95 167.93 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.1 135.17 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 31' ' ' GLU . 14.6 t -100.24 170.75 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.416 ' HA ' HD21 ' A' ' 32' ' ' LEU . 1.3 p -59.77 -39.92 86.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -59.59 -39.91 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 17.4 mt-10 -62.51 -69.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD12 HD22 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -49.71 -47.46 50.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.73 -63.81 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.475 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.61 -43.12 79.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' GLU . 34.1 t -50.52 -62.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.683 ' CB ' ' HB1' ' A' ' 166' ' ' ALA . 12.1 ptp -61.84 -31.28 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -67.82 -27.7 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -13.42 59.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.739 ' HG ' HG12 ' A' ' 163' ' ' VAL . 2.0 mm? -93.67 20.07 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.62 17.59 79.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -89.14 152.3 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.28 67.3 6.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 156.94 61.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.4 p -111.21 163.27 14.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -51.54 -38.73 55.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.66 -41.1 89.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.218 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.8 -54.93 41.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -57.82 -58.5 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -53.38 -38.23 63.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.56 -60.21 4.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mtt -51.4 -53.26 38.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG13 ' A' ' 63' ' ' ILE . 7.9 mm -50.27 -58.67 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.6 -16.73 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.37 -31.98 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.784 HG21 HG12 ' A' ' 63' ' ' ILE . 4.9 m -100.47 -14.82 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 102.2 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.43 -17.98 46.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -111.65 -40.41 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.18 50.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -98.78 -20.41 16.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.83 21.65 10.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.8 p -146.48 170.66 16.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 111.161 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.784 HG12 HG21 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -102.3 122.62 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -78.43 177.82 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.804 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.9 t80 -67.94 -56.68 10.89 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.679 0.752 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 54.0 Cg_endo -69.84 -34.09 15.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.2 -61.37 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -57.66 -39.73 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.1 -61.41 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -62.97 -34.8 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.2 ttp -53.74 -52.38 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 ptm -83.95 -19.62 34.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.11 -23.41 34.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.36 -25.93 62.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -81.16 -12.82 59.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 ttp -81.57 -0.08 40.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -55.27 -25.79 36.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 t0 63.62 38.45 9.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 18.3 p -97.99 -33.81 11.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -155.71 83.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 m -77.65 -28.06 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -50.55 -47.37 57.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 -58.1 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.15 -46.76 79.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.2 mt -51.66 -71.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -48.2 -41.12 26.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -56.62 -40.13 74.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.509 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.15 -60.47 2.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' HA ' HD11 ' A' ' 100' ' ' ILE . 31.8 t80 -59.13 -21.41 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -79.95 -42.37 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.9 m -75.36 -24.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' HE1' HG11 ' A' ' 163' ' ' VAL . 21.9 m-85 -71.95 -45.46 61.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -75.75 91.13 2.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -49.17 -63.04 1.22 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.98 -20.52 63.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.65 37.01 94.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.548 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -70.29 -13.24 62.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.934 0.397 . . . . 0.0 110.951 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.44 8.7 24.64 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -152.22 143.45 23.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.91 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 89' ' ' PHE . 78.8 mt -98.34 113.51 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.9 m -86.04 167.17 15.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.5 -33.76 71.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.12 -55.44 25.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.04 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -59.71 -47.87 83.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 125' ' ' ILE . 14.2 tp -61.49 -63.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.663 ' O ' HG23 ' A' ' 110' ' ' THR . 30.0 ptt85 -50.63 -33.81 23.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -68.28 -44.28 75.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 41.0 t -66.09 -34.11 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.625 ' HG2' HD22 ' A' ' 116' ' ' LEU . 28.0 tpp -71.04 -58.25 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 106' ' ' ARG . 30.9 p -56.91 -50.52 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -52.94 -34.87 57.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.521 HD11 HD21 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -60.56 -28.88 68.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.19 27.11 4.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -108.47 177.92 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.3 tttm -114.98 112.33 22.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.625 HD22 ' HG2' ' A' ' 109' ' ' MET . 2.0 mp -147.75 132.66 18.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.2 p -106.49 -179.74 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -50.9 -34.69 29.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -64.83 -54.86 24.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -51.72 -58.2 7.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.3 t -53.76 -53.19 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -56.34 -29.45 61.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -62.41 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.7 ptm -51.49 -37.01 47.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 19.2 mm -70.51 -50.83 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.48 -29.94 64.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -87.26 -35.01 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.07 3.83 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -121.13 133.46 55.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 140' ' ' GLU . 3.5 mm -80.43 -44.58 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.198 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -20.38 28.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.01 40.12 95.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.565 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.83 6.29 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.321 . . . . 0.0 110.8 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.87 3.48 83.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.576 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -123.89 129.75 51.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 125' ' ' ILE . 14.9 t -97.35 116.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -95.17 160.84 14.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.519 ' O ' HG13 ' A' ' 142' ' ' VAL . 65.0 t80 -57.89 -44.26 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.97 -57.28 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.426 ' HB3' HG12 ' A' ' 130' ' ' ILE . 7.0 pt-20 -74.64 -22.39 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.66 -48.97 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -69.66 -28.28 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.165 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.26 -24.73 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.763 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.9 tmm? -65.93 -25.04 66.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.1 mtp -94.75 -2.07 51.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 142' ' ' VAL . 31.0 p -99.65 51.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.14 51.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.441 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -94.25 21.8 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -47.69 -48.77 29.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.5 t -100.11 -16.34 17.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.87 -177.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -87.69 33.51 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.95 5.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.407 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.4 p -49.44 -68.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 110.825 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.8 -54.46 21.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -53.5 -34.03 56.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.775 0.321 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -67.76 -51.92 43.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -56.18 -53.68 54.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 155' ' ' GLY . 4.1 tt -59.83 -42.83 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 159' ' ' ILE . 2.8 ttmt -62.34 -45.94 90.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -61.62 -40.89 96.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -62.99 -50.36 71.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.739 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.6 m -67.65 -26.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.471 ' NH2' HD22 ' A' ' 161' ' ' LEU . 41.6 mtm180 -73.95 -57.35 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -68.06 -28.88 73.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.683 ' HB1' ' CB ' ' A' ' 36' ' ' MET . . . -51.31 -31.22 20.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.79 0.329 . . . . 0.0 111.097 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -109.36 119.64 40.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.4 8.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 14.7 tptt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.71 -21.46 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.92 -46.17 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 161' ' ' LEU . 5.7 mm-40 -51.2 -50.8 58.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.547 ' HB3' HD11 ' A' ' 69' ' ' LEU . 8.0 m-85 -63.41 -40.5 97.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -54.52 -58.15 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HG3' HD13 ' A' ' 161' ' ' LEU . 13.7 pt-20 -61.66 -43.64 98.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.776 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -55.34 -36.52 66.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.41 ' CE1' HD11 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.92 -47.7 24.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.795 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -52.06 -49.44 63.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.643 HD22 ' HG3' ' A' ' 158' ' ' LYS . 4.1 pp -68.06 -18.95 64.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -64.6 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.78 116.99 22.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -90.1 -22.42 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.0 -20.22 33.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.0 49.41 59.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -97.1 -20.14 18.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.72 22.74 7.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.541 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.6 t -163.62 163.04 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.165 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.447 HG22 HD23 ' A' ' 32' ' ' LEU . 13.0 mt -127.66 124.3 63.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -94.59 168.09 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.407 ' HA ' HD21 ' A' ' 32' ' ' LEU . 18.0 p -54.2 -31.27 52.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -60.39 -49.08 79.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.611 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.7 mt-10 -61.66 -69.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD21 HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -48.94 -43.17 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.19 -63.44 5.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.4 m -58.09 -37.17 73.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.136 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.4 t -58.84 -60.57 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.703 ' HB3' ' HB1' ' A' ' 166' ' ' ALA . 22.0 ptp -68.17 -19.91 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -74.86 -37.13 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -83.86 1.01 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.824 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.1 OUTLIER -93.15 19.78 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.26 20.88 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -119.48 157.65 27.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.349 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -112.74 76.91 2.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.67 130.87 20.21 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.764 2.309 . . . . 0.0 112.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.5 t -110.61 176.15 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -51.45 -48.1 62.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.4 77.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.62 -62.09 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 HD12 ' A' ' 32' ' ' LEU . 19.0 mt -53.91 -54.32 40.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -53.99 -45.01 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -56.19 -60.48 3.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 mmt -50.45 -59.71 3.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.79 HD11 HD21 ' A' ' 32' ' ' LEU . 48.1 mm -51.15 -58.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -56.26 -23.78 38.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -85.64 -25.03 26.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG21 HG12 ' A' ' 63' ' ' ILE . 5.3 m -116.69 26.17 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -136.09 105.34 6.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.94 -13.78 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -40.35 15.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 39.41 5.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' THR . 1.5 p30 -106.08 6.83 31.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.427 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.8 30.37 69.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' ASN . 43.8 p -137.47 168.68 19.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 111.163 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 55' ' ' VAL . 3.2 mt -113.82 130.81 67.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -85.08 -177.17 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -68.82 -61.11 3.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.715 ' O ' HG23 ' A' ' 70' ' ' THR . 52.9 Cg_endo -69.77 -27.66 26.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.727 2.284 . . . . 0.0 112.3 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -51.04 -66.69 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -49.69 -44.43 48.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.2 mm? -51.14 -47.79 61.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 66' ' ' PRO . 9.8 p -66.42 -45.2 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.4 ttp -51.28 -56.86 10.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.956 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.54 -50.18 68.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.97 -29.76 21.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -51.77 -31.33 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.97 -29.49 21.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.3 mmt -59.02 -25.26 63.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -52.07 -30.43 25.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.46 160.27 20.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.9 t -102.81 10.2 38.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.62 98.58 11.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 p -88.27 -20.47 25.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -51.62 -36.48 46.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -56.47 -59.85 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -52.83 64.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.595 HG23 ' HE1' ' A' ' 141' ' ' PHE . 39.5 mm -50.74 -71.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -46.27 -43.45 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.586 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.1 tt0 -55.53 -41.37 73.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -65.13 -61.14 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -58.72 -21.03 53.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -80.06 -41.37 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.5 m -77.68 -22.85 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 22.7 m-85 -74.22 -50.39 19.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.43 91.11 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -52.03 -64.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -69.4 -20.76 63.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.22 92.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -71.05 -18.28 62.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.26 17.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.537 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -152.65 140.85 20.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.825 0.345 . . . . 0.0 110.999 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.755 HG21 HD13 ' A' ' 105' ' ' LEU . 69.7 mt -99.78 120.37 49.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.3 t -95.91 179.96 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.726 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -69.83 -27.54 64.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.21 -59.44 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 108' ' ' VAL . 59.5 mt-10 -58.72 -40.51 83.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -66.99 -63.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -51.09 -32.01 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -74.34 -41.12 61.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 104' ' ' GLU . 21.8 t -62.32 -44.28 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mtm -73.85 -54.58 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.6 m -55.07 -32.62 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.079 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -56.53 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.597 HD11 HD11 ' A' ' 39' ' ' LEU . 4.1 mp -60.26 -19.5 55.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.33 21.42 6.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.73 147.02 33.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -104.98 131.11 52.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -157.64 155.84 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.7 p -111.85 179.92 3.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.41 -41.28 76.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.68 -37.39 81.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -59.11 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.726 HG11 ' HB1' ' A' ' 102' ' ' ALA . 27.0 t -51.15 -45.92 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -60.53 -33.32 72.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 152' ' ' ALA . 7.6 tp10 -71.23 -62.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.534 ' HA ' ' HB3' ' A' ' 152' ' ' ALA . 12.5 ptm -51.19 -39.19 55.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.517 HD11 HD22 ' A' ' 105' ' ' LEU . 17.6 mm -70.64 -44.45 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -87.41 -41.07 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB2' ' NE1' ' A' ' 156' ' ' TRP . . . -70.04 -24.01 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -114.06 110.89 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -13.75 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -91.0 -20.55 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.36 39.0 70.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -95.77 1.33 53.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.61 5.95 68.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.552 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -130.2 133.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.2 t -99.65 106.67 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -85.28 165.11 17.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.498 ' O ' HG13 ' A' ' 142' ' ' VAL . 83.9 t80 -66.45 -45.14 80.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -48.98 -48.15 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.69 -30.73 29.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.595 ' HE1' HG23 ' A' ' 85' ' ' ILE . 39.6 t80 -52.63 -51.24 60.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.9 m -61.68 -30.12 47.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -68.4 -21.64 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 156' ' ' TRP . 5.0 tmm? -67.58 -12.18 59.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.28 11.64 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 p -105.84 29.95 6.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.04 52.69 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.775 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -100.2 22.68 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.7 p -45.3 -50.12 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.6 t -76.24 -28.7 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.174 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.775 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -64.47 -176.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . 0.534 ' HB3' ' HA ' ' A' ' 124' ' ' MET . . . -85.28 34.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.13 -26.35 4.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 74.2 m -48.44 -67.0 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.445 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.67 -56.06 12.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.501 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.506 ' CH2' HD21 ' A' ' 105' ' ' LEU . 93.2 m95 -52.24 -35.1 48.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -52.74 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.643 ' HG3' HD22 ' A' ' 18' ' ' LEU . 13.0 ttpt -54.82 -53.93 48.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' A' ' 92' ' ' PHE . 5.4 tt -59.91 -43.99 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 159' ' ' ILE . 3.8 mmmp? -62.25 -36.32 81.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 15' ' ' ALA . 6.8 mt -68.06 -46.07 72.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.66 96.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.824 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -71.79 -31.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -75.59 -33.45 60.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -78.45 -47.23 8.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 36' ' ' MET . . . -51.48 -30.89 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.277 . . . . 0.0 111.098 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.0 tp60 -120.75 100.21 6.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -52.57 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.784 0.325 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.88 -21.37 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.99 87.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -43.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -67.94 -49.05 64.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -51.28 -42.26 61.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -75.04 -39.8 60.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.962 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -57.13 -37.06 71.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -88.5 -43.11 11.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -51.11 -48.19 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 18' ' ' LEU . 4.3 pp -70.52 -23.38 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -62.07 1.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -83.09 111.73 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -88.73 -27.36 21.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.55 -20.14 61.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.56 47.03 92.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.548 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -99.82 -19.95 16.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.01 30.33 6.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.47 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -167.01 163.82 15.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 111.118 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' ' 31' ' ' GLU . 8.7 mt -132.42 122.44 47.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -98.85 167.94 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 p -50.84 -32.19 19.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -60.91 -45.85 92.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.655 ' HB3' HG23 ' A' ' 27' ' ' ILE . 1.1 tt0 -62.94 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -50.49 -43.68 55.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.11 -62.19 6.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.2 m -56.35 -29.51 61.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 31' ' ' GLU . 44.9 t -65.27 -61.29 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -35.75 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -72.84 -31.02 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -76.18 -5.67 47.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.452 HD21 ' HA ' ' A' ' 163' ' ' VAL . 4.1 mp -92.73 17.26 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.74 14.39 77.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.47 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -107.49 -177.26 3.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -134.93 74.53 63.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 145.05 55.77 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.744 2.296 . . . . 0.0 112.343 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 p -110.38 166.77 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.09 -26.91 41.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.1 59.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -54.96 -47.77 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 32' ' ' LEU . 12.6 mt -59.1 -61.73 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -52.18 -41.21 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -57.26 -62.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -57.36 8.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.727 HD11 HD21 ' A' ' 32' ' ' LEU . 35.9 mm -51.02 -59.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.31 -23.32 47.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -84.25 -24.82 29.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 63' ' ' ILE . 5.0 m -117.8 25.7 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -137.34 104.53 5.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.69 -15.34 30.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -40.74 16.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.05 43.28 4.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.55 ' O ' HG23 ' A' ' 62' ' ' THR . 0.5 OUTLIER -108.63 4.0 23.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.91 30.25 69.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.413 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 60' ' ' ASN . 26.3 p -137.58 160.14 39.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 111.148 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.477 HG12 HG21 ' A' ' 55' ' ' VAL . 3.6 mt -111.67 139.55 35.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -95.67 -178.84 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 1.8 t80 -66.99 -56.82 12.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.756 ' O ' HG23 ' A' ' 70' ' ' THR . 52.7 Cg_endo -69.8 -35.69 12.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.661 2.241 . . . . 0.0 112.245 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -49.3 -66.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -50.9 -41.68 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -45.65 79.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.756 HG23 ' O ' ' A' ' 66' ' ' PRO . 12.1 p -65.81 -46.9 76.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tmm? -52.9 -50.3 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -51.97 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.861 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.92 -27.85 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -55.56 -25.73 39.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -65.41 -18.34 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 37.5 ttp -51.39 -30.49 19.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -51.7 -30.18 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -114.12 132.95 55.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.0 p -89.68 10.27 23.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.22 98.62 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 p -90.82 -22.76 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -58.54 -33.77 70.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.04 -61.33 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.74 -47.59 84.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.512 HG23 ' HE1' ' A' ' 141' ' ' PHE . 27.9 mm -53.19 -71.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 -47.42 20.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.611 ' O ' HG13 ' A' ' 91' ' ' VAL . 14.8 tp10 -53.69 -38.93 64.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.508 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.25 -60.72 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.22 -19.9 49.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.3 mtp180 -81.7 -41.78 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 87' ' ' GLU . 33.6 m -75.35 -25.23 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 19.3 m-30 -69.76 -43.85 71.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -84.02 90.88 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -50.03 -46.97 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -77.38 -20.06 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.17 35.48 60.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -70.39 -11.21 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.948 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.6 7.38 25.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.514 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -153.39 141.75 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.43 HG21 HD13 ' A' ' 105' ' ' LEU . 97.5 mt -96.62 129.87 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -100.15 165.69 11.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.97 67.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.91 65.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 108' ' ' VAL . 13.9 mt-10 -58.06 -46.11 85.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.644 HD11 ' CZ3' ' A' ' 156' ' ' TRP . 5.6 tp -65.46 -61.98 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -50.41 -31.75 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -73.31 -44.87 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 104' ' ' GLU . 80.4 t -65.2 -29.06 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.0 tpp -86.95 -42.69 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.9 m -67.71 -45.96 73.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -59.44 -35.89 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -24.38 66.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.1 -17.29 32.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -62.9 107.04 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -63.01 140.39 58.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.664 HD22 ' C ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -156.25 158.06 36.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -111.18 171.16 7.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -50.57 -39.8 50.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.64 -41.48 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.0 -70.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 HD23 ' A' ' 116' ' ' LEU . 38.1 t -54.81 -47.96 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -51.05 -46.78 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.49 -37.07 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CE2' ' A' ' 156' ' ' TRP . 14.3 mtp -60.38 -41.78 94.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -78.15 -44.48 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -62.0 -27.35 68.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -90.33 -40.83 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.66 63.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -104.53 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -13.6 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.18 -21.01 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 60.0 45.28 96.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.71 -16.89 23.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.373 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.56 6.33 35.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -140.32 132.09 27.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.1 t -88.15 130.12 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -109.86 164.82 12.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.608 ' O ' HG13 ' A' ' 142' ' ' VAL . 92.2 t80 -65.61 -42.94 91.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -49.49 -49.28 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.848 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -82.82 -31.09 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.512 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.0 t80 -52.34 -48.09 65.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 146' ' ' THR . 2.5 m -65.69 -26.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -84.94 -20.3 30.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 9.9 tmm? -63.69 -20.86 66.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.62 9.56 25.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.818 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 142' ' ' VAL . 67.9 p -104.48 46.54 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 122.1 50.54 0.24 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.946 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -106.95 22.86 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 t -43.61 -39.24 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -97.37 -25.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -61.89 -176.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -85.71 33.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.96 -25.4 5.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -64.0 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.371 . . . . 0.0 110.876 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.71 -57.39 12.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.644 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 94.5 m95 -52.55 -34.98 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -66.18 -48.89 69.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.72 -55.48 34.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 160' ' ' LYS . 6.0 tt -56.54 -45.29 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 159' ' ' ILE . 37.6 ttpt -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.962 HD22 ' HB2' ' A' ' 15' ' ' ALA . 26.2 mt -65.48 -36.16 83.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.25 -49.33 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.528 HG21 HG21 ' A' ' 91' ' ' VAL . 6.0 p -65.96 -36.11 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -55.73 17.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -62.55 -44.83 97.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.46 62.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -96.37 116.65 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.74 78.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 14.5 tptm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.2 mt -75.15 -22.36 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.04 -43.33 63.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -53.08 -63.18 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CG ' HD11 ' A' ' 69' ' ' LEU . 36.4 m-85 -52.12 -47.39 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -49.39 -55.31 13.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.01 -39.74 86.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.922 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -62.52 -35.59 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -72.81 -58.23 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -63.2 -22.4 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 112' ' ' LEU . 0.3 OUTLIER -51.81 -69.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' N ' HD23 ' A' ' 18' ' ' LEU . 2.8 p90 -81.17 -16.11 53.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.29 96.69 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -90.28 -31.04 17.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.14 -22.85 62.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.84 50.97 13.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.45 -16.48 56.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.843 0.354 . . . . 0.0 110.84 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 13.96 25.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -167.63 173.13 8.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.726 0.298 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.595 HG23 ' CB ' ' A' ' 31' ' ' GLU . 3.5 mp -138.4 133.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 30' ' ' LYS . 14.4 t -100.41 174.8 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.452 HG22 HG13 ' A' ' 52' ' ' ILE . 77.0 p -57.44 -27.81 62.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.225 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.643 ' H ' HG23 ' A' ' 28' ' ' THR . 45.4 mttp -63.2 -52.8 60.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.698 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.1 mt-10 -58.47 -67.16 0.38 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 52' ' ' ILE . 0.9 OUTLIER -49.96 -52.49 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.87 -55.37 9.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.454 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.7 m -63.91 -28.27 69.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.331 . . . . 0.0 111.07 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 31' ' ' GLU . 76.2 t -70.28 -45.64 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.7 ptp -73.1 -31.2 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.35 -29.62 42.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 16.6 p -71.1 -8.73 55.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.788 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -87.38 10.14 18.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 10.71 57.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.49 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -106.95 156.41 18.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -118.62 66.92 7.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.9 157.85 58.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.288 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 46' ' ' ALA . 12.0 t -111.81 178.42 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.48 -42.1 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.426 ' H ' HG23 ' A' ' 44' ' ' THR . . . -50.43 -46.18 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -58.61 -46.69 86.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.58 -60.77 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -53.06 -37.35 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.06 -60.19 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.8 mmm -52.15 -55.09 23.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 32' ' ' LEU . 28.7 mm -51.68 -53.78 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.19 -26.87 66.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.75 -25.88 37.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 71' ' ' MET . 5.6 m -111.38 22.06 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.58 96.2 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -17.07 64.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.28 -37.43 3.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.56 50.97 2.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -95.92 -20.86 18.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.22 19.32 9.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.539 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.7 p -150.88 168.64 23.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 111.15 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.573 HG23 ' HB ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -112.84 133.18 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 77.7 m-20 -95.95 175.85 6.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.61 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 11.2 t80 -64.96 -53.76 39.76 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.78 -8.83 24.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.99 -51.71 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 63' ' ' ILE . 26.9 t80 -55.5 -52.6 63.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -51.29 -36.49 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -69.0 -47.76 64.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.43 ' HB2' HG12 ' A' ' 55' ' ' VAL . 13.4 tmm? -55.6 -51.92 65.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -53.23 52.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.38 -29.89 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -61.8 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -85.0 -10.53 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.9 tpt -60.74 -19.23 58.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -51.81 -29.9 21.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -64.71 109.82 2.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -66.25 -24.82 66.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.53 103.74 15.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -92.76 10.22 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 85' ' ' ILE . 18.0 tt0 -50.95 -46.07 60.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -49.29 -59.12 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -56.04 -47.07 78.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' GLU . 83.5 mt -51.22 -71.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -48.56 -39.87 25.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.61 ' O ' HG13 ' A' ' 91' ' ' VAL . 22.0 tp10 -57.29 -39.94 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -66.95 -59.52 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -59.37 -22.04 60.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -79.7 -43.44 22.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.8 m -73.85 -24.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.703 ' CE1' HG11 ' A' ' 163' ' ' VAL . 21.0 m-85 -73.61 -38.86 64.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.56 84.22 5.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -59.81 -31.35 69.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.96 -20.15 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.07 26.67 61.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.434 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -69.74 -20.4 63.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.45 9.95 30.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -152.1 135.87 16.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.788 HG21 HD13 ' A' ' 105' ' ' LEU . 75.4 mt -93.12 134.05 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -110.25 168.96 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.5 -17.25 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.61 -71.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.4 pt-20 -57.04 -41.52 78.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 100' ' ' ILE . 5.3 tp -57.32 -59.01 5.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 121' ' ' VAL . 16.5 mmm-85 -54.26 -43.21 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.12 -31.04 72.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.2 t -70.99 -45.22 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mtm -79.72 -19.84 47.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.6 m -86.29 -49.01 8.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 7.4 m120 -52.23 -34.65 46.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.577 ' CD2' HD21 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -75.63 -30.19 59.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.82 20.55 7.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -88.96 96.35 10.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.41 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.88 138.17 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 116' ' ' LEU . 1.1 pp -146.8 162.3 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.2 t -109.98 167.44 10.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -51.92 -40.3 60.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.66 -38.9 92.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -54.99 -68.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.803 HG21 ' HD3' ' A' ' 106' ' ' ARG . 62.0 t -57.08 -42.0 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.6 -62.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.33 -34.18 74.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ttt -53.9 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.5 mm -63.93 -39.05 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -59.77 -29.36 68.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -90.3 -44.17 9.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.72 -12.79 61.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -110.67 109.38 19.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pt -72.6 -31.12 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.89 -20.14 22.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.67 38.54 77.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -94.14 13.27 23.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.97 13.77 72.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -131.88 129.91 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.384 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.34 110.14 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.75 162.86 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.528 ' O ' HG13 ' A' ' 142' ' ' VAL . 81.6 t80 -65.3 -45.79 82.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -48.56 -49.4 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -81.14 -31.02 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -52.85 -46.38 67.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 138' ' ' TYR . 2.3 m -71.06 -29.2 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -77.5 -21.78 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.715 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 6.8 tmm? -62.39 -22.36 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 ptm -101.49 -3.9 27.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 142' ' ' VAL . 43.0 p -91.96 51.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.94 51.04 0.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -102.9 22.02 14.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.7 p -46.59 -35.11 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 76.2 p -104.75 -29.0 10.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -59.85 -177.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.56 33.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.99 -24.7 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 35.3 p -49.39 -67.75 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.901 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -50.18 -55.39 15.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.508 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.411 ' CH2' HD21 ' A' ' 105' ' ' LEU . 91.4 m95 -53.22 -34.8 58.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.733 0.301 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . 0.589 ' O ' HD12 ' A' ' 161' ' ' LEU . 1.9 mmt-85 -66.48 -51.34 57.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -56.14 -54.21 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.476 HD11 HG11 ' A' ' 108' ' ' VAL . 5.4 tt -59.83 -44.75 94.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.207 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 159' ' ' ILE . 19.7 ttmm -61.08 -39.87 91.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.922 HD22 ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -64.81 -46.87 80.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' ALA . . . -59.36 -45.02 92.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.788 HG12 ' HG ' ' A' ' 39' ' ' LEU . 25.4 m -74.21 -25.11 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -76.27 -40.81 50.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -86.12 -28.03 29.35 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 162' ' ' ALA . . . -51.26 -30.72 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.677 0.275 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -130.15 99.65 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.36 127.86 20.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 25.4 tptp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.9 mt -85.03 -21.33 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -45.99 50.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' HB3' HD21 ' A' ' 161' ' ' LEU . 42.4 mt-10 -50.98 -48.25 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB3' HD11 ' A' ' 69' ' ' LEU . 5.3 m-85 -65.94 -44.7 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -51.13 -49.75 60.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.01 -43.6 74.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB2' HD22 ' A' ' 161' ' ' LEU . . . -53.16 -37.3 61.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' HD11 ' A' ' 27' ' ' ILE . 4.1 t80 -81.9 -41.93 20.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 t -52.14 -49.98 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 162' ' ' ALA . 1.9 pp -70.58 -24.97 62.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -62.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -67.79 127.67 33.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.99 -22.04 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.61 -20.21 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 50.3 69.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.15 -17.6 18.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.14 29.85 3.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.54 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.614 ' C ' HD13 ' A' ' 27' ' ' ILE . 4.5 t -163.21 161.53 24.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 111.18 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' C ' ' A' ' 26' ' ' THR . 1.6 mm -120.46 107.48 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 t -84.1 159.66 21.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.657 HG23 HG13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -48.92 -36.61 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -53.8 -55.47 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.652 ' O ' HG23 ' A' ' 35' ' ' VAL . 2.2 mt-10 -56.32 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD23 HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -47.03 -46.59 22.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.92 -64.19 4.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.509 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.4 m -54.52 -32.31 57.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.098 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 31' ' ' GLU . 50.4 t -62.37 -55.52 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.41 ' HA ' ' HE3' ' A' ' 36' ' ' MET . 2.7 mmt -62.13 -36.98 83.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -70.89 -30.9 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.801 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -82.66 0.42 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.769 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.2 OUTLIER -105.28 20.47 18.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.85 18.54 80.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.505 HE22 ' NE2' ' A' ' 167' ' ' GLN . 11.3 tt0 -110.14 162.29 14.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -113.48 74.75 2.27 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.694 0.759 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.52 17.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -109.01 172.0 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -50.15 -41.29 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.69 98.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.22 -50.19 74.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD22 HD23 ' A' ' 32' ' ' LEU . 17.6 mt -61.9 -57.17 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -52.78 -48.09 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -55.64 -61.0 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.531 ' HG2' HD11 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -48.32 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 29' ' ' THR . 50.3 mm -51.02 -47.24 31.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.054 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -62.32 -24.68 67.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.08 -23.01 23.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 52' ' ' ILE . 20.6 m -114.51 23.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -149.43 100.71 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.792 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.07 -20.62 48.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -36.77 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.24 42.78 11.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.563 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -91.42 -21.19 21.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.04 9.64 48.03 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.86 145.25 32.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 111.157 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.726 HG21 ' HB2' ' A' ' 68' ' ' PHE . 3.1 mt -85.2 136.24 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.453 ' O ' HG22 ' A' ' 63' ' ' ILE . 2.3 t0 -80.34 -169.79 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -71.53 -60.87 2.36 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.766 ' O ' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.61 -30.7 22.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.393 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.525 ' HB3' HG23 ' A' ' 63' ' ' ILE . 3.0 mt-10 -48.94 -70.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.726 ' HB2' HG21 ' A' ' 63' ' ' ILE . 39.6 t80 -45.94 -43.92 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.808 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 65' ' ' PHE . 3.3 mm? -55.1 -49.8 70.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 66' ' ' PRO . 15.7 p -60.44 -46.36 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.6 ttp -53.64 -55.72 23.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.852 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -64.04 -50.13 69.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -22.34 44.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -56.65 -68.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.606 ' HZ3' ' N ' ' A' ' 169' ' ' LYS . 19.5 mttt -74.03 -17.42 60.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.2 ttp -57.02 -24.83 56.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -52.58 -31.04 34.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -59.43 100.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.6 m -51.93 -39.65 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.5 109.11 3.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -93.17 10.91 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.04 -41.77 94.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -55.43 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.82 -48.4 81.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.496 HG23 ' HE1' ' A' ' 141' ' ' PHE . 50.2 mt -52.51 -69.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -47.04 -51.23 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.655 ' O ' HG13 ' A' ' 91' ' ' VAL . 0.3 OUTLIER -52.36 -36.33 53.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -65.6 -60.4 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -20.03 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.5 mtt-85 -81.8 -39.2 24.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 87' ' ' GLU . 31.3 m -79.03 -24.16 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.708 ' CE1' HG11 ' A' ' 163' ' ' VAL . 19.1 m-85 -71.21 -33.08 69.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.66 90.48 2.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -23.31 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -23.14 11.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.804 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.94 51.03 25.91 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -90.53 -11.86 38.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.99 0.8 30.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.49 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -147.64 167.5 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.634 HG21 HD13 ' A' ' 105' ' ' LEU . 96.5 mt -115.71 123.13 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -95.74 159.5 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -52.56 -29.64 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.32 -55.81 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.2 mt-10 -59.33 -42.91 92.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.634 HD13 HG21 ' A' ' 100' ' ' ILE . 7.5 tp -66.73 -63.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.585 ' CB ' HG21 ' A' ' 121' ' ' VAL . 6.6 ptm180 -49.79 -34.0 18.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -76.07 -36.62 58.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 104' ' ' GLU . 4.1 t -64.18 -39.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mtm -82.48 -38.58 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -67.15 -44.37 79.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -56.87 -31.14 64.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -72.18 -16.34 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.98 -5.27 30.55 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.09 101.06 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -66.08 121.27 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -127.54 160.04 32.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.569 HG22 ' OE2' ' A' ' 120' ' ' GLU . 7.3 t -110.13 163.76 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -51.51 -31.91 25.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.55 -43.77 96.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.569 ' OE2' HG22 ' A' ' 117' ' ' THR . 0.3 OUTLIER -59.28 -65.35 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 106' ' ' ARG . 97.1 t -51.7 -47.98 37.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.68 -33.33 72.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -68.97 -63.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.0 ptm -51.05 -42.08 60.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.411 HD11 HD22 ' A' ' 105' ' ' LEU . 22.2 mm -68.04 -40.53 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -63.77 -32.68 74.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -85.3 -37.37 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -11.13 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -119.4 104.95 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.31 -43.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.7 -20.38 63.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.11 36.41 92.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -89.42 10.88 20.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.18 13.94 76.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.441 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -133.46 130.01 38.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 0.0 110.933 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.0 t -93.08 114.69 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -90.05 164.74 14.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.516 ' O ' HG13 ' A' ' 142' ' ' VAL . 89.5 t80 -68.86 -46.02 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -48.82 -44.72 39.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -85.16 -33.18 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.496 ' HE1' HG23 ' A' ' 85' ' ' ILE . 37.7 t80 -51.61 -46.4 63.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.678 ' O ' HG23 ' A' ' 146' ' ' THR . 2.9 m -68.08 -29.36 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -72.51 -28.33 62.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.712 ' O ' ' HB2' ' A' ' 148' ' ' ALA . 7.4 tmm? -65.44 -24.38 67.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 6.9 tpt -96.78 4.79 51.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 142' ' ' VAL . 34.8 p -107.68 50.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 121.56 51.2 0.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 144' ' ' MET . . . -96.7 21.83 8.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.769 0.318 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.7 t -46.38 -47.8 18.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 30.4 p -95.84 -27.95 14.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.36 -176.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -86.11 33.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.191 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.3 -24.83 5.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.4 m -49.2 -69.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -49.02 -56.17 10.57 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -52.8 -34.88 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -51.72 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -57.01 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 92' ' ' PHE . 4.1 tt -55.58 -43.82 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' A' ' 163' ' ' VAL . 13.0 ttpt -66.23 -32.76 74.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.717 HD22 ' HB2' ' A' ' 15' ' ' ALA . 7.1 mt -71.36 -35.24 71.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.587 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -74.1 -42.01 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.769 HG12 ' HG ' ' A' ' 39' ' ' LEU . 21.1 m -72.55 -34.07 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -83.59 -30.41 27.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -81.77 -50.4 4.97 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.443 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -56.66 -32.33 65.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.665 0.269 . . . . 0.0 111.062 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.505 ' NE2' HE22 ' A' ' 41' ' ' GLN . 9.6 tp-100 -109.11 110.17 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -51.86 -69.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.606 ' N ' ' HZ3' ' A' ' 75' ' ' LYS . 14.9 tppt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.875 0.369 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.22 -23.3 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.24 -47.14 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 161' ' ' LEU . 27.6 mt-10 -51.89 -52.68 48.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.477 ' HB3' HD13 ' A' ' 69' ' ' LEU . 6.6 m-85 -63.19 -44.39 95.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -50.73 -50.79 54.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -66.56 -51.09 60.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB3' ' HE1' ' A' ' 72' ' ' MET . . . -49.64 -33.6 15.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -90.93 -26.06 19.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.6 t -63.78 -50.46 68.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 162' ' ' ALA . 1.6 pt? -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -61.44 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.41 138.97 42.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -83.95 -55.49 4.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -94.15 -21.06 19.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.74 49.63 67.21 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -79.4 -4.53 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.0 17.33 9.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.51 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -170.23 165.06 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.623 HG22 HD23 ' A' ' 32' ' ' LEU . 7.5 mt -131.63 127.1 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.8 t -90.03 161.96 15.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.482 ' HA ' HD11 ' A' ' 32' ' ' LEU . 7.8 p -48.32 -34.84 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.2 -58.14 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.6 mt-10 -51.31 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -52.56 -51.35 60.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.27 -55.29 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.445 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.2 m -65.82 -34.38 78.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 31' ' ' GLU . 77.1 t -60.06 -49.21 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.9 mmt -69.32 -47.82 63.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.8 -23.54 67.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -19.05 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.677 ' HG ' HG12 ' A' ' 163' ' ' VAL . 0.9 OUTLIER -93.57 19.94 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.38 -7.04 82.12 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.436 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.33 155.43 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -119.65 67.59 10.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.09 24.79 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 p -109.94 -179.3 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -49.38 -44.51 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.01 97.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -58.12 -59.19 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.8 -54.66 30.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -52.95 -38.48 62.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.25 -58.99 5.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mmt -51.52 -59.03 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.735 HD11 ' CD2' ' A' ' 32' ' ' LEU . 33.5 mm -50.5 -60.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -57.32 -22.0 39.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -84.63 -25.3 28.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.7 m -119.68 25.96 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -134.88 105.18 6.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.79 -14.67 31.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.09 -40.79 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 42.81 4.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.35 6.38 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.462 ' HA2' HG21 ' A' ' 52' ' ' ILE . . . 59.96 31.08 71.33 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.487 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -143.22 162.5 35.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.675 0.274 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.639 HD12 HD22 ' A' ' 32' ' ' LEU . 5.4 mt -102.56 133.13 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.2 -172.2 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -71.16 -60.57 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 53.8 Cg_endo -69.72 -29.93 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -51.57 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -48.92 -57.16 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 12' ' ' PHE . 3.6 mt -50.19 -43.5 52.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 93.8 m -59.14 -47.6 84.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -58.96 -48.0 83.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 15' ' ' ALA . 3.3 mtm -61.15 -59.44 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.75 -27.24 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -56.83 -23.86 46.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -69.48 -11.26 60.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -27.27 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.13 -30.65 17.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -77.14 150.06 35.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.86 -45.85 3.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.095 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -64.19 132.6 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 m -99.91 -22.25 15.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -50.45 -38.76 45.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -56.49 -57.94 10.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.35 -56.63 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.53 HG21 HG12 ' A' ' 142' ' ' VAL . 46.0 mm -49.5 -70.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -45.58 -46.07 14.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.493 ' O ' HG13 ' A' ' 91' ' ' VAL . 50.7 tp10 -53.17 -41.84 65.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 92' ' ' PHE . . . -64.41 -61.05 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.39 -21.52 36.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -78.87 -44.54 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 87' ' ' GLU . 32.0 m -74.04 -23.7 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.596 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 21.1 m-85 -74.2 -38.89 63.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -90.58 90.76 8.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -51.94 -48.34 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -20.74 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.81 34.67 90.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.548 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -69.95 -19.94 63.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.96 16.17 11.87 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -154.51 133.18 12.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.737 HG21 HD13 ' A' ' 105' ' ' LEU . 81.3 mt -97.57 115.68 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -93.65 164.07 13.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.99 -30.21 33.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.81 -56.97 9.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 108' ' ' VAL . 19.6 mt-10 -58.31 -42.14 86.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.737 HD13 HG21 ' A' ' 100' ' ' ILE . 6.1 tp -67.11 -63.32 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.36 -29.75 16.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -75.3 -43.6 50.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.0 t -61.44 -42.09 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mtm -75.22 -46.61 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.0 m -62.11 -29.07 70.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -47.49 67.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.692 HD22 HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -59.68 -20.48 56.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.39 -16.65 29.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' O ' HD12 ' A' ' 116' ' ' LEU . 14.0 tp10 -57.47 109.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.969 0.414 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 112.68 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 120' ' ' GLU . 3.1 mp -112.34 155.21 24.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.7 p -107.18 161.51 14.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -51.5 -36.38 44.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.18 -45.83 91.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.517 ' CG ' HD23 ' A' ' 116' ' ' LEU . 11.9 tp10 -52.75 -68.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.2 t -54.55 -38.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.18 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.47 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -56.03 -35.49 66.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.471 ' HE3' ' CE2' ' A' ' 156' ' ' TRP . 17.3 mmm -53.52 -58.82 5.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 105' ' ' LEU . 28.3 mm -67.12 -32.88 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -64.5 -30.23 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -86.72 -41.88 13.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.96 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -97.2 98.97 10.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.02 -13.47 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.92 -20.63 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.82 48.53 75.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -100.19 -7.9 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.02 8.57 61.56 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -139.75 132.71 29.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.89 0.376 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 t -90.22 132.24 35.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.48 166.51 10.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.506 ' O ' HG13 ' A' ' 142' ' ' VAL . 37.6 t80 -64.77 -43.8 92.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 142' ' ' VAL . 11.9 mt-10 -49.02 -53.52 19.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.16 -30.13 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 138' ' ' TYR . 62.4 t80 -52.76 -48.74 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.53 HG12 HG21 ' A' ' 85' ' ' ILE . 3.2 m -65.8 -25.41 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.91 -22.08 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.442 ' HA ' ' HB2' ' A' ' 148' ' ' ALA . 2.6 mpp? -64.36 -14.47 56.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.5 ttp -110.38 10.89 23.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.3 p -120.38 47.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.66 51.12 1.44 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.563 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 151' ' ' ALA . . . -95.42 21.15 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 92.7 p -49.24 -49.97 40.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 9.9 p -82.93 -14.22 54.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.577 ' HB3' ' HB1' ' A' ' 148' ' ' ALA . . . -81.63 -177.37 6.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -88.75 33.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -49.91 -24.4 6.26 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 24.9 m -52.43 -67.68 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.913 0.387 . . . . 0.0 110.88 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 159' ' ' ILE . . . -51.58 -43.8 53.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' TRP . . . . . 0.701 ' CZ3' HD11 ' A' ' 105' ' ' LEU . 97.1 m95 -64.25 -29.96 71.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -71.74 -52.47 17.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -59.19 -48.54 81.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 155' ' ' GLY . 5.3 tt -63.11 -43.94 99.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.482 ' N ' HG23 ' A' ' 159' ' ' ILE . 11.5 tmtt? -66.23 -38.75 88.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 11' ' ' GLU . 7.1 mt -64.6 -43.07 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.825 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -66.15 -53.53 36.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.677 HG12 ' HG ' ' A' ' 39' ' ' LEU . 22.9 m -59.62 -34.39 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 18.3 mmm180 -77.09 -38.3 52.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.52 97.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.436 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -53.36 -27.55 24.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.735 0.302 . . . . 0.0 111.028 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -90.22 72.28 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -55.09 175.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_