data_2ytu_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 2ytu _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 ' 33' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.24 137.68 10.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.31 160.55 35.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -80.48 -27.69 37.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -106.43 50.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -99.0 165.23 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 p -112.82 179.17 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -26.69 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.95 -45.07 17.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -55.84 -26.48 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.81 -26.37 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -55.65 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.14 -41.04 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -57.79 -52.75 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.31 -53.95 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.59 -26.88 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.73 -54.61 5.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.57 -49.71 67.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.0 mt -55.8 -26.02 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.98 -60.0 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.37 -64.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -61.8 -26.33 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m 62.95 58.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.5 -171.4 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -160.08 134.13 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 62.56 81.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -138.64 142.11 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 133.87 48.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 -33.94 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 p -58.09 -28.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.91 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -108.17 29.6 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.82 -33.61 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -161.0 46.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -88.03 140.13 29.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 137.24 56.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.02 40.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -37.84 77.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -35.78 76.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.93 -27.54 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 m -79.49 -41.89 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.04 -27.34 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mmm -60.71 126.45 27.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.51 -176.12 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -31.63 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -76.98 -54.84 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -54.95 -42.09 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.38 -31.95 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.78 -31.84 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -71.88 -26.65 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.36 -42.67 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -143.02 172.92 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 p -67.9 171.51 6.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -43.75 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -53.87 -38.56 64.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -79.42 -39.01 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.26 -27.06 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.71 -25.36 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.09 -57.88 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -52.01 -42.22 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -62.26 -43.01 99.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.23 -46.63 79.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.97 -25.82 67.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 p -87.13 -26.51 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -66.9 -42.77 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.911 0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.65 137.73 11.11 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.617 0.722 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.22 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.76 160.57 34.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -83.41 -27.96 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.67 46.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -95.77 164.57 12.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.3 p -112.43 -173.22 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -75.19 -27.88 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.72 -32.58 35.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -69.65 -27.21 64.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.8 t -79.62 -27.47 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -54.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -52.13 -49.24 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -52.04 -45.64 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.73 -54.87 24.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -55.37 -31.27 61.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -76.4 -49.22 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.29 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.25 -25.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -55.38 -64.55 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.4 -26.37 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m 63.22 57.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.33 176.51 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.9 mtm -144.26 133.27 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 58.25 94.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -150.12 136.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.54 133.86 54.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -34.7 5.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.5 p -56.74 -26.8 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -26.73 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -112.1 26.81 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -87.35 -31.74 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -155.65 46.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ttp -100.45 134.21 43.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.6 137.66 56.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.72 -37.64 51.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -58.72 -26.19 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.03 -32.38 30.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.05 -50.09 74.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.9 p -70.77 -29.55 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -66.99 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmm -60.87 143.77 54.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.65 -175.04 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -55.81 -30.12 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.85 -53.28 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.2 -40.68 67.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -72.92 -30.87 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.16 -28.76 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.69 -43.12 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -139.28 173.06 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.0 p -69.11 177.63 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -42.23 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -56.14 -34.66 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -80.83 -42.99 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -55.46 -36.33 66.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.45 -26.99 65.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.7 t -82.91 -26.43 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.79 -57.92 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.03 -47.46 71.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.4 t -54.96 -42.59 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -65.82 -49.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.95 -26.11 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 t -89.33 -26.59 21.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.805 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -75.25 -26.52 58.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.857 0.36 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.9 137.72 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.86 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.87 160.52 60.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.27 37.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.7 p -81.15 -29.62 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.13 46.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -94.3 166.11 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 p -110.21 -172.75 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.86 -26.0 56.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -42.25 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -55.9 -26.52 47.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -81.22 -25.98 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -55.4 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.49 -49.94 66.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -52.86 -43.8 66.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.09 -57.53 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.58 -27.46 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -74.23 -49.75 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.06 -25.26 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -62.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.25 -64.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -62.96 -26.35 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 63.19 57.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.34 -177.17 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 132.49 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 57.84 92.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.8 tt -150.46 139.22 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.45 133.74 51.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.6 -28.59 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -29.36 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -27.6 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.87 28.15 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -134.55 28.73 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.09 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.91 137.43 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.88 43.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.44 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.11 -34.74 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.03 -57.41 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 31.7 p -65.87 -26.6 67.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.41 151.41 47.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.24 -176.87 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -31.9 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.06 -51.05 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.74 -39.61 81.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.31 -32.84 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.45 -30.07 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -74.73 -26.45 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.02 17.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -150.6 173.65 13.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.1 p -68.2 172.06 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -44.03 92.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -54.51 -37.7 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -82.16 -36.8 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -57.63 -38.91 75.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.36 -30.5 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.62 -25.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.3 mt -88.63 -57.92 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -50.27 61.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.2 t -52.72 -53.05 53.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.44 -48.99 77.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.79 -26.12 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -85.54 -26.73 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.17 -40.44 89.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.5 137.75 10.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.694 0.759 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.242 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.32 160.71 49.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.99 29.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.3 p -82.44 -32.6 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.64 42.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -94.62 155.97 16.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 t -115.18 167.72 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -30.92 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.02 -32.08 71.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -83.04 -42.94 16.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.57 -27.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.47 -54.84 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.2 -48.57 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.17 -45.79 65.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.87 -58.73 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.41 -30.37 39.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -74.59 -51.5 14.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.39 -51.22 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.03 -25.29 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -84.14 -63.29 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.87 -64.28 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -61.55 -26.11 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m 63.1 60.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.23 -170.4 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptp -158.22 134.09 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 61.69 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.12 137.79 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.36 133.74 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.47 -28.18 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -32.1 58.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -30.64 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -100.99 26.3 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -79.06 -33.23 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -161.08 44.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 ttp -90.78 133.69 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -65.66 138.08 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.12 -28.58 42.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.42 95.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.26 -33.9 43.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.1 m -76.67 -41.21 46.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -59.04 -28.77 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmm -69.99 131.76 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -111.36 -171.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.68 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -80.34 -53.48 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -56.45 -33.92 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.9 -28.64 39.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.46 -26.88 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -74.66 -27.88 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.35 -43.11 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -140.91 172.4 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -70.6 166.54 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -40.82 93.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.99 -30.02 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.25 -37.36 12.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -52.64 -42.01 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.62 -29.16 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -74.28 -27.06 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.81 -55.36 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -52.67 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -55.29 -34.72 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -71.39 -39.12 71.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.86 -27.95 62.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -88.28 -27.61 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -64.17 -42.83 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.862 0.363 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.8 137.74 10.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -72.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.13 160.6 38.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.45 36.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.7 p -82.87 -26.56 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -106.65 48.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -97.0 159.71 14.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -112.04 172.34 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -61.87 -27.15 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -78.47 -29.59 46.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -77.97 -26.05 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.94 -25.98 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -90.31 -31.6 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.29 -50.96 11.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -52.47 -39.76 61.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.64 -68.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -35.71 53.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.88 -56.02 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.48 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.02 -25.24 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -62.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -54.48 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -61.69 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 t 63.21 57.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.86 -170.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.04 144.88 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 59.39 81.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -147.05 141.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.91 133.38 36.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -31.24 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -30.52 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.24 -28.06 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -107.4 26.32 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -73.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -117.07 26.41 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.88 129.44 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.04 137.21 56.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.98 44.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -27.1 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.77 -27.5 61.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.35 12.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.51 -26.57 67.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -69.5 -37.06 77.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmm -57.34 134.03 55.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -105.55 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -55.3 -28.91 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.45 -56.35 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.83 -35.97 58.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -77.86 -35.17 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.68 -31.44 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -26.28 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.03 -40.19 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -146.27 172.39 13.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 p -70.8 159.11 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -40.57 66.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -54.4 -30.46 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -91.51 -37.53 13.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -55.58 -32.66 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.99 -26.58 59.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.87 -28.05 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.38 -59.63 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.37 -48.44 65.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -54.11 -48.41 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -61.74 -45.36 94.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.65 -26.59 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.9 t -87.29 -26.69 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.49 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.898 0.38 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.7 137.72 11.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.3 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.15 160.57 35.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.15 37.8 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -78.26 -32.01 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.48 49.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -99.63 160.88 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 t -118.81 168.45 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -55.73 -26.38 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -27.93 58.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -87.39 -28.74 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.98 -30.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -89.72 -47.92 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -57.94 -49.01 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -52.32 -55.96 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.11 -56.78 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.4 -31.5 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -76.6 -44.65 33.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.93 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.67 -29.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.85 -65.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -61.8 -26.32 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t 63.04 52.63 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 mt -68.69 -170.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -154.13 123.83 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 62.3 93.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -145.54 137.22 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 133.64 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -35.27 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -55.84 -27.59 52.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -26.56 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.84 26.35 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.46 -32.08 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -156.9 55.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.79 139.25 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.76 137.38 57.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.24 -26.76 29.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -31.72 70.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.92 -37.86 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.18 -31.05 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 m -76.1 -42.19 47.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.42 -30.53 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtp -62.4 112.4 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -171.91 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -31.67 44.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.24 -53.96 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -52.39 -44.9 65.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.63 -34.09 71.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.57 -26.78 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -74.34 -32.75 62.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.84 -42.64 17.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -142.09 173.46 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -70.78 171.96 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -41.29 96.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -56.64 -30.92 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -89.35 -37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.24 -33.32 69.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.93 -27.91 62.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.87 -25.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -86.68 -58.22 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.7 tp -52.7 -52.85 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 t -54.33 -35.16 62.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.69 -49.85 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -26.76 68.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.9 t -85.77 -28.1 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.67 -38.43 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.867 0.365 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.03 137.73 10.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -74.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -117.68 160.6 37.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -78.59 -32.41 47.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.87 52.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -102.06 164.92 11.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -123.87 168.55 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -56.19 -25.89 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.6 -26.14 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.94 -28.05 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.5 t -76.38 -27.62 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -90.2 -49.42 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.4 -49.28 77.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -52.86 -50.48 63.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.7 -55.88 29.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -52.66 -47.99 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.56 -46.18 91.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.56 -54.15 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.77 -25.77 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.34 -60.85 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -61.96 -26.31 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t 63.16 59.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.7 mt -85.86 -175.85 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -160.61 157.46 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 54.27 64.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 tt -130.77 150.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.15 133.98 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -28.04 68.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.91 30.86 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.33 -74.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.93 33.0 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.32 133.64 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.61 138.11 57.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.74 -34.43 44.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -28.34 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -36.82 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.15 -26.57 39.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.55 -47.94 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -57.53 -27.97 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -65.47 128.64 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -103.22 -173.72 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -61.79 -33.41 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.41 -41.27 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.02 -51.56 63.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -60.36 -31.74 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.27 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.46 -30.48 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.69 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -161.05 171.89 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.7 p -68.88 160.05 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 tp -54.81 -40.42 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -52.72 -33.92 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -87.87 -35.26 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.6 m -62.0 -42.51 99.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.52 -31.0 72.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.87 -42.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.88 -59.12 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.61 -44.32 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.5 t -52.77 -61.34 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.08 -27.37 53.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.73 62.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.23 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.09 -32.86 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.0 137.73 10.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.35 -70.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.87 160.63 43.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -15.23 36.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -77.64 -33.56 53.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.24 53.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -102.34 158.46 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -116.93 168.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -56.02 -30.73 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.57 -26.89 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -86.07 -26.34 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.17 -25.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -56.92 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.42 -46.78 66.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -52.2 -47.13 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.17 -49.78 63.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.53 -26.52 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -71.8 -60.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.82 -51.59 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.9 mt -57.52 -25.37 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -64.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.26 -63.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -62.46 -26.32 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.02 63.35 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -86.49 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptp -155.73 140.72 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 58.64 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tt -154.25 143.06 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 142.43 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.15 -28.98 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -27.76 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -106.22 27.28 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -73.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -125.13 38.2 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 tpp -72.58 135.79 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.45 137.37 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.86 -43.12 60.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -63.07 -27.05 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.09 -34.24 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.12 -51.67 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -56.99 -26.02 59.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -53.63 124.72 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -94.41 -170.52 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -60.17 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -51.9 -37.8 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -32.01 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -94.09 -34.47 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 mt -56.08 -25.58 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -75.88 -26.26 56.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.72 -46.95 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 t -136.04 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -73.18 -179.44 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -43.61 76.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.05 -30.03 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -93.54 -37.85 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.6 m -52.14 -47.29 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.3 -26.38 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.99 -27.1 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.47 -57.58 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -61.13 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t -52.07 -52.91 48.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.76 -42.6 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -25.88 67.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.5 p -86.31 -26.74 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.79 -37.27 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.959 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.22 137.69 10.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.87 160.65 36.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -14.7 36.2 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -79.22 -30.82 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.13 53.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -102.33 165.8 10.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 t -124.71 168.57 13.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.92 -26.38 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -26.85 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -88.67 -27.62 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -28.53 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -50.01 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -56.89 -48.63 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -52.82 -46.04 67.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.6 -51.39 69.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.84 -26.8 66.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -80.17 -41.82 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.42 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.95 -25.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -62.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -63.49 -26.32 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m 62.98 59.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.5 -170.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.1 ptp -156.39 137.56 13.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.97 94.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -156.34 138.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.73 137.44 42.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -108.71 -33.09 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -26.77 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -26.99 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -113.46 26.4 10.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -84.21 -32.15 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.75 35.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 ttp -86.62 131.0 34.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -65.64 138.08 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.14 -30.36 38.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.83 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.38 -34.69 58.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.25 -27.22 54.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.24 -49.57 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -57.66 -26.87 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 mmm -60.72 126.6 28.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -109.53 -176.05 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.1 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.67 -50.79 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.03 -45.43 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.43 -27.86 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.0 -27.49 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -77.32 -27.21 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.4 -32.19 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -153.98 172.62 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 p -68.48 171.44 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -40.94 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.24 -37.08 69.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -82.86 -36.98 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -56.87 -39.44 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.68 -28.9 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.9 t -77.08 -26.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.77 -55.63 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.4 tp -54.59 -52.72 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.5 t -52.94 -40.42 63.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -65.55 -44.99 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.12 -26.01 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -26.61 25.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.75 -42.13 96.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 tt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.68 10.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.388 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.97 160.62 31.6 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -16.32 37.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 p -98.25 24.91 6.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -150.75 28.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -78.93 170.86 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 -173.57 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.5 -26.76 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.7 -44.65 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -56.19 -26.04 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -78.06 -28.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -52.98 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.48 -49.15 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -54.71 -44.91 73.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.8 -58.91 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.96 -38.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -68.73 -46.67 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.47 57.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.62 -26.05 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -61.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.27 -62.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -61.99 -26.39 68.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t 62.86 56.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.02 -176.61 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.03 140.11 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 60.32 82.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.23 139.68 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.83 133.78 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -27.84 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.46 -31.41 71.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.97 28.67 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.49 -68.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 27.77 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 31.1 ttm -63.23 134.11 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.04 137.67 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.35 -44.36 58.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -64.12 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.62 -30.15 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -56.28 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.56 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.09 130.47 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -96.17 -176.93 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.11 69.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.99 -37.07 75.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.87 -51.67 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -62.49 -26.54 68.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.65 -32.06 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.26 -42.07 12.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -143.75 173.72 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -69.9 169.08 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.95 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.95 -32.59 67.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -87.34 -40.52 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.4 m -53.85 -39.0 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.59 -26.67 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.66 -25.38 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 mt -85.7 -59.86 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -47.35 65.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 t -52.74 -56.95 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.84 -32.9 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.58 -26.6 61.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.4 t -88.1 -30.58 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -53.9 -29.65 42.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.964 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.861 0.362 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.32 137.74 10.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.87 160.56 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.16 34.27 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 p -82.81 -25.63 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.25 50.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -102.33 160.15 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 t -121.91 170.11 10.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -54.71 -28.08 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.56 -30.19 62.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -86.71 -26.96 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -73.6 -28.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.35 -55.2 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -52.37 -49.16 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.27 -47.02 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.7 -52.5 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.36 -26.76 53.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -74.34 -51.12 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.94 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.48 -25.16 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -89.64 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -63.34 -26.57 68.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t 63.06 57.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 mt -73.07 -170.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.07 131.67 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 59.08 94.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.5 tt -146.8 140.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.4 133.44 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -36.05 6.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 p -57.35 -26.89 61.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -26.4 63.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -114.72 26.51 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.13 -31.11 25.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -155.48 41.11 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -89.75 134.27 34.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.37 136.32 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.67 -30.93 36.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -39.26 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.32 -36.26 83.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -53.2 -28.77 28.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 m -82.33 -48.4 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -57.5 -26.93 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -68.56 130.27 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -110.61 -175.0 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -30.18 28.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -63.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.61 -32.74 41.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.25 -28.45 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -75.23 -26.23 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.07 -36.89 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.03 173.49 12.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.7 p -68.46 177.17 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -43.91 79.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -52.25 -48.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -69.66 -44.0 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.6 m -54.29 -33.66 59.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.45 -28.82 66.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.3 t -82.64 -43.02 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.66 -57.94 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -52.31 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 t -52.17 -55.3 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -52.34 -50.9 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.37 -26.09 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 m -86.47 -26.57 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.93 -37.28 86.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.86 0.362 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.01 137.71 10.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 -48.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.34 160.55 45.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -16.64 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.86 56.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -102.98 165.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -123.03 167.1 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.01 -28.18 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -28.14 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -86.8 -28.22 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.3 t -73.31 -28.29 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.48 -51.75 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.08 -48.01 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -53.83 -46.9 71.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.28 -59.21 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.95 -32.39 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -73.09 -48.55 34.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.23 -25.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.92 -65.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -62.24 -26.54 68.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t 63.14 54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.69 -171.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -157.76 134.59 9.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 63.18 85.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -146.74 139.79 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 134.18 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.74 -30.12 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -26.69 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -27.98 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -109.36 32.07 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.14 -28.01 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -152.0 26.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 tpp -76.57 135.12 39.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.4 137.59 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.89 -33.97 44.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.04 -27.22 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.34 -35.28 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -48.2 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.15 -27.85 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -71.64 -33.07 68.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.6 mtp -52.49 117.12 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -90.35 -170.92 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -33.12 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -76.79 -43.02 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -56.13 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.7 -32.7 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.25 -31.0 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -73.61 -28.18 61.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.08 -38.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.97 173.06 13.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -70.06 168.74 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -41.32 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -52.92 -42.56 65.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -79.46 -39.6 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -52.3 -38.96 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.59 -30.41 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.6 -27.7 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.02 -54.12 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.28 -41.34 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.6 t -60.86 -39.59 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -69.37 -44.76 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.3 -26.36 65.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 m -87.24 -28.32 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.84 -32.05 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.73 10.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.153 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.21 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 160.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.55 37.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -75.83 -36.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -101.51 53.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -101.09 166.73 10.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -123.18 168.57 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -56.75 -27.34 59.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -27.92 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -86.68 -27.0 24.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.73 -29.26 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -90.26 -50.0 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -55.85 -49.24 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.05 -49.04 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.61 -49.18 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.88 -26.72 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -77.71 -58.16 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -53.15 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.0 mt -55.6 -25.66 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -83.5 -60.08 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -61.3 -26.28 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m 63.0 55.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.68 -171.99 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -163.33 147.94 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 63.22 67.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 tt -132.78 146.13 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 136.46 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 -34.18 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -60.99 -26.69 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -27.42 62.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -112.09 26.65 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.07 -27.85 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -158.06 49.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -102.09 142.86 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.27 137.46 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.8 49.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -66.35 -29.28 69.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.95 -34.48 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -53.06 -43.68 66.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.52 -42.72 67.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.78 -32.91 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.05 126.99 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -103.42 -173.54 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.06 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.28 -51.76 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.65 -40.86 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.76 -28.9 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.92 -26.3 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -75.37 -26.38 58.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.42 -41.44 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -139.36 173.13 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.0 p -71.24 172.55 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.63 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.51 -34.97 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -84.12 -41.08 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -54.32 -36.63 63.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.43 -27.08 63.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.9 t -80.12 -38.18 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.79 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.52 -50.55 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -54.9 -46.34 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.71 -51.43 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.7 -26.0 42.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -89.64 -26.59 20.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.0 -27.2 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.64 137.73 11.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.24 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.91 160.59 38.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.99 37.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 p -81.62 -25.84 35.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.69 49.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -97.93 163.01 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.3 p -108.26 -173.14 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.37 -29.71 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.85 -41.33 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -58.14 -27.09 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.04 -25.74 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -52.48 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -53.22 -47.48 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -52.09 -54.77 26.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 tp -54.47 -49.28 70.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.21 -26.85 66.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -80.69 -46.7 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.51 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.57 -25.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -62.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.27 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -61.47 -26.34 67.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 t 62.66 54.41 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -176.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.63 130.28 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 63.05 97.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.6 tt -154.48 137.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.74 133.39 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -33.76 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -26.8 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -26.81 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -111.83 27.42 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -88.95 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -155.35 56.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.6 ttp -110.55 141.44 43.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 137.62 54.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -42.07 55.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -33.8 72.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -39.31 93.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.82 -31.17 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.7 m -75.88 -42.07 50.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.93 -28.34 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.4 mtp -62.53 113.43 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -91.68 179.18 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -30.75 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.09 -51.44 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -53.18 -45.13 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.2 -36.13 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.15 -29.73 68.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -73.46 -26.22 60.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.59 -42.77 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -141.5 173.27 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -71.83 161.74 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.85 -40.36 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -52.39 -34.94 50.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.87 -41.21 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.3 m -57.0 -42.72 80.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.52 -30.11 71.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.03 -25.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.9 -59.9 2.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.27 -45.08 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -59.23 -48.03 83.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -59.03 -53.21 60.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.87 -26.2 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -86.92 -26.72 23.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.24 -36.8 85.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.11 137.67 10.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.47 160.6 45.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -78.46 -31.71 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -104.63 52.39 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -101.33 163.21 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -122.27 169.63 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.13 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.43 -26.78 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -88.97 -26.37 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.48 -29.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttp85 -89.59 -47.74 7.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -59.11 -49.66 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -52.3 -49.93 63.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -51.41 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.36 -29.92 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -77.64 -53.43 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.93 -51.45 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.4 -25.47 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -63.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.16 73.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.91 137.37 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -114.29 -15.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -118.67 68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.2 tt -145.07 143.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.67 135.06 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -28.04 11.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -34.27 77.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.24 -28.44 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -107.25 31.01 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -69.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.7 56.3 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 tpp -95.62 144.1 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.36 137.68 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -37.73 47.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -28.65 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.49 -36.58 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.72 -53.42 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.4 p -69.36 -26.98 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.38 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.95 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -108.74 -178.45 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -52.03 -33.93 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -73.18 -52.79 12.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -54.89 -38.81 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.98 -31.49 61.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.89 -27.85 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -73.95 -31.06 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.42 -40.72 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -144.58 173.49 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.3 p -69.73 173.28 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -43.43 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.22 -31.93 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -90.02 -39.66 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.3 m -52.64 -39.42 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.7 -26.71 61.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.4 t -77.71 -25.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.03 -57.86 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -50.69 63.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.7 t -53.86 -41.02 67.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -65.68 -43.63 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.19 -26.01 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -26.82 22.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -67.71 -34.36 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.875 0.369 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.61 137.68 10.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.645 0.736 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 160.59 37.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.14 37.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.1 p -78.01 -34.82 50.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.41 50.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -99.72 162.38 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.9 t -120.48 169.48 10.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.54 -26.94 56.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.63 -26.22 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -89.59 -27.27 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.34 -29.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -89.25 -49.5 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -56.44 -49.54 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -52.05 -45.26 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.09 -53.49 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.54 -33.77 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.38 -44.5 58.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.87 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.99 -26.02 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.95 -64.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -52.51 -64.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -61.42 -26.39 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t 63.08 61.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.34 -170.25 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.4 ptp -157.86 137.02 11.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.57 93.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -151.04 136.81 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.66 133.53 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 -35.65 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -26.74 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -27.06 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.06 26.42 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -85.53 -31.49 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -157.83 43.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 ttp -91.32 140.5 29.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.69 136.19 55.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.49 -30.81 34.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -33.73 75.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.22 -37.76 84.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.64 -65.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.2 p -56.67 -24.78 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -78.59 -25.86 45.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.5 mmm -69.15 125.68 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.41 -172.42 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -39.12 73.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.41 -53.53 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.11 -29.9 67.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.74 -28.17 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.98 -26.41 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -75.53 -27.94 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.7 -40.77 13.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -144.37 173.46 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 p -70.22 171.33 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -40.95 94.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.11 -29.51 65.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.71 -35.89 14.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -57.07 -44.7 83.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -62.72 -29.25 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.77 -25.83 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.96 -59.22 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -54.16 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -52.17 -31.92 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -75.07 -46.86 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.6 -26.31 67.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.7 t -88.28 -26.82 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -70.26 -41.96 72.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.3 tt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.53 137.74 10.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.4 -72.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 160.61 38.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -15.04 36.92 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 p -78.09 -37.19 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 mt -96.69 43.91 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -94.69 155.18 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -102.61 -174.71 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -74.06 -28.75 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.21 -39.47 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -56.63 -27.35 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.12 -26.81 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -78.14 -49.83 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -52.85 -39.55 62.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -73.78 -26.06 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -54.38 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.16 -28.49 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -75.83 -57.53 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.5 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.87 -25.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.07 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -61.22 -26.31 67.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m 63.14 54.75 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.1 -170.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -172.04 152.16 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.23 47.41 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -118.52 143.61 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.52 133.39 38.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -30.46 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -61.46 -32.87 72.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -27.43 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -113.69 26.6 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -71.98 -33.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -161.12 37.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -79.81 135.16 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.71 137.26 57.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.55 35.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -59.72 -33.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.59 -37.39 56.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -57.41 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -63.99 -23.68 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -27.5 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.6 mtp -61.21 114.68 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -94.0 -171.62 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -30.78 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.31 -53.62 7.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.41 -42.96 74.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -71.45 -31.2 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.6 -26.68 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -78.29 -27.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.96 -36.25 15.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -147.57 173.11 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 p -70.52 170.76 11.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -39.19 91.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.0 -36.73 65.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.31 -38.71 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -52.65 -42.35 64.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.79 -26.89 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.4 -25.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 42.8 mt -84.83 -55.99 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 tp -56.22 -51.72 67.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 t -53.48 -35.37 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -72.15 -56.5 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.59 -26.03 41.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -88.48 -26.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -70.96 -27.64 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.96 137.72 10.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.04 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 160.48 26.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -18.72 37.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 p -95.5 30.53 2.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -149.41 25.9 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -81.47 150.71 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 p -88.18 -173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -25.94 66.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.49 -47.81 9.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -52.02 -54.17 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.95 -30.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -81.21 -40.76 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -65.89 -47.85 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -52.21 -38.06 56.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.57 -59.97 3.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.46 -34.66 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.25 -52.24 59.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -53.07 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.25 -26.79 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.34 -26.31 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.14 57.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.7 mt -81.51 -177.1 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.45 133.74 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.48 97.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.1 tt -154.13 143.84 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 138.64 58.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -27.96 51.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -107.62 26.46 10.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -71.7 -28.84 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.89 74.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -125.45 144.94 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.15 136.57 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.02 -27.23 37.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -29.88 69.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.42 -33.71 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mp -54.52 -65.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -24.76 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -78.55 -25.83 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mtm -64.2 134.01 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -87.24 -170.19 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -60.96 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -51.68 -37.7 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.38 -33.42 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 -32.12 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.09 -25.1 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.79 -36.41 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.76 -47.79 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -131.96 174.37 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.7 p -78.54 -177.29 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -42.76 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -51.96 -30.15 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -93.51 -38.41 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.8 m -52.06 -41.1 62.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.22 -26.2 61.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.26 -30.92 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.39 -55.1 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 tp -51.99 -30.22 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -71.36 -57.34 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.13 -31.06 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.33 -35.12 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 t -88.23 -26.83 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.85 137.72 10.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.34 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.7 160.6 37.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.11 37.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 p -78.76 -32.77 46.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -101.07 50.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -100.4 160.94 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -119.85 167.79 11.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -55.74 -27.38 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -26.99 58.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -86.72 -26.03 24.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.0 t -79.69 -28.85 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.21 -31.97 17.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.56 -47.75 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -53.36 -40.09 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.11 -59.93 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.99 -26.54 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -75.85 -58.15 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.39 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.27 -26.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.34 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -61.61 -26.27 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.17 63.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.21 -170.16 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -162.36 140.54 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 61.96 82.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -146.37 143.15 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.26 135.04 54.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 -36.19 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -67.36 -28.41 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -26.57 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -110.4 26.41 10.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -77.11 -31.66 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -154.15 67.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 tpp -116.74 144.61 44.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.73 136.42 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.18 -30.87 40.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.23 -32.5 64.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -35.27 80.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -56.8 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -23.56 67.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.79 -28.47 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.7 mtp -58.62 112.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.71 -170.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -64.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.0 -36.92 51.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.64 -32.39 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -93.89 -33.77 13.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.43 -25.68 51.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 -25.91 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.2 -46.11 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -135.96 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -77.36 -178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -42.79 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -52.1 -30.44 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -93.51 -38.05 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -51.82 -41.76 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.65 -26.63 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.11 -28.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.57 -55.4 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.4 tp -52.66 -57.59 9.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -52.11 -52.02 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -52.38 -46.55 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.23 -26.03 68.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -26.67 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.34 -40.59 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.832 0.349 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.95 137.71 11.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.16 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.28 160.52 47.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.72 37.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -82.84 -26.13 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.55 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -97.16 166.25 11.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 p -113.2 -178.99 3.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.36 -26.87 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.31 18.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -56.58 -26.43 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.64 -25.42 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -54.09 -49.3 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -54.31 -41.46 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.92 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -30.55 43.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -70.08 -50.79 37.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.42 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.4 -24.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -61.61 -26.53 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.12 59.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.39 -171.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.08 142.05 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 58.22 89.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -152.28 138.72 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.33 133.72 45.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 -28.91 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -68.18 -30.02 69.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.94 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -109.25 32.91 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -28.7 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -148.88 26.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 tpp -76.72 132.26 39.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.07 137.52 56.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.75 -33.55 49.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -26.94 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.23 -34.82 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mp -53.1 -60.3 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.2 -26.6 68.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.2 133.63 55.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.88 -171.18 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -34.49 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.36 -49.6 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.09 -35.38 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.83 -26.88 36.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.1 -28.94 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -74.05 -27.16 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 -43.82 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -138.78 172.39 12.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.4 p -70.06 172.83 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -41.56 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -55.85 -36.22 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -84.51 -39.29 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.5 m -54.59 -41.91 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.98 -27.15 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.02 -37.02 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.7 -57.31 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -47.99 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.28 -48.98 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.97 -48.03 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.58 -26.11 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -85.25 -26.69 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -58.66 -37.57 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -159.08 95.49 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.16 154.31 36.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.4 -150.19 5.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -150.0 93.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.46 106.22 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.33 113.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.433 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 ttp -94.4 161.67 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -82.04 -55.07 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 60.68 89.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.62 166.22 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -141.68 159.68 41.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -152.2 174.49 13.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.14 154.51 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -101.41 -27.19 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.67 68.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -104.0 133.5 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -112.1 137.75 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.41 -177.7 51.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.73 23.59 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.8 Cg_endo -69.75 168.61 21.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.5 Cg_endo -69.72 167.75 69.81 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.36 -0.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -70.67 -59.74 2.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.19 142.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 t -58.42 161.42 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.1 -69.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -147.04 161.85 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.38 74.53 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 54.26 58.76 4.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -127.61 115.69 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.18 137.36 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.54 -30.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.24 137.68 10.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.31 160.55 35.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -80.48 -27.69 37.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -106.43 50.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -99.0 165.23 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 p -112.82 179.17 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -26.69 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.95 -45.07 17.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -55.84 -26.48 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.8 t -78.81 -26.37 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -55.65 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.14 -41.04 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -57.79 -52.75 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.31 -53.95 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.59 -26.88 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.73 -54.61 5.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.57 -49.71 67.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.0 mt -55.8 -26.02 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.98 -60.0 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.37 -64.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -61.8 -26.33 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m 62.95 58.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -78.5 -171.4 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -160.08 134.13 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 62.56 81.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -138.64 142.11 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 133.87 48.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 -33.94 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 p -58.09 -28.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.91 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -108.17 29.6 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.82 -33.61 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -161.0 46.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -88.03 140.13 29.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 137.24 56.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.02 40.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -37.84 77.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -35.78 76.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.93 -27.54 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 m -79.49 -41.89 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.04 -27.34 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mmm -60.71 126.45 27.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.51 -176.12 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -31.63 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -76.98 -54.84 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -54.95 -42.09 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -71.38 -31.95 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.78 -31.84 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -71.88 -26.65 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.36 -42.67 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -143.02 172.92 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 p -67.9 171.51 6.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.45 -43.75 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -53.87 -38.56 64.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -79.42 -39.01 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.26 -27.06 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.8 t -79.71 -25.36 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.4 mt -89.09 -57.88 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -52.01 -42.22 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -62.26 -43.01 99.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.23 -46.63 79.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.97 -25.82 67.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 p -87.13 -26.51 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -66.9 -42.77 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.3 mt -58.64 -40.99 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -65.16 -37.99 89.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -26.45 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.4 m -75.69 -36.85 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -26.58 63.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.83 -29.13 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 pp -95.63 -26.0 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.95 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -65.95 93.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -120.89 152.25 38.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.3 p -65.02 -47.34 77.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.2 m 62.4 98.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.9 t -97.05 81.05 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.2 m170 53.58 46.74 25.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.1 p -125.07 39.35 3.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -99.15 162.71 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.77 135.01 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 m -76.43 152.97 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.0 p -102.73 115.59 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -143.85 54.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.09 118.94 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.7 t -124.08 139.39 53.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.5 144.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.75 167.15 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -165.82 176.08 8.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.21 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.624 0.726 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.62 40.28 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.14 162.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.86 130.72 2.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p 58.5 177.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -91.66 -73.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.54 177.41 13.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -117.78 -64.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.37 170.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -136.66 36.56 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -163.39 166.03 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -155.78 79.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -107.42 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mtt -113.63 142.74 45.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.55 108.68 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.01 136.96 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -139.47 84.69 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -109.0 150.41 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.99 178.59 35.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.66 23.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.5 Cg_endo -69.67 168.6 20.98 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.373 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.2 Cg_endo -69.78 167.74 70.04 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 -1.822 . . . . 0.0 112.33 -0.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.79 24.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 59.22 94.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.87 -173.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.2 p -130.95 164.36 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m 56.32 76.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -116.92 -177.77 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 52.64 74.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -155.52 48.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -95.78 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.09 139.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.4 tt -115.13 -30.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.65 137.73 11.11 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.617 0.722 . . . . 0.0 111.129 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.22 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.76 160.57 34.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -83.41 -27.96 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.67 46.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -95.77 164.57 12.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.3 p -112.43 -173.22 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -75.19 -27.88 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.72 -32.58 35.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -69.65 -27.21 64.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.8 t -79.62 -27.47 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -54.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -52.13 -49.24 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -52.04 -45.64 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.73 -54.87 24.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -55.37 -31.27 61.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -76.4 -49.22 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.29 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.25 -25.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -55.38 -64.55 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.4 -26.37 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m 63.22 57.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.33 176.51 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.9 mtm -144.26 133.27 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 58.25 94.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -150.12 136.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.54 133.86 54.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -34.7 5.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.5 p -56.74 -26.8 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -26.73 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -112.1 26.81 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -87.35 -31.74 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -155.65 46.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ttp -100.45 134.21 43.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.6 137.66 56.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.72 -37.64 51.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -58.72 -26.19 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.03 -32.38 30.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.05 -50.09 74.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.9 p -70.77 -29.55 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -66.99 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmm -60.87 143.77 54.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.65 -175.04 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -55.81 -30.12 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.85 -53.28 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.2 -40.68 67.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -72.92 -30.87 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.16 -28.76 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.69 -43.12 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -139.28 173.06 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.0 p -69.11 177.63 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -42.23 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -56.14 -34.66 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -80.83 -42.99 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -55.46 -36.33 66.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.45 -26.99 65.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.7 t -82.91 -26.43 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.79 -57.92 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.03 -47.46 71.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.4 t -54.96 -42.59 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -65.82 -49.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.95 -26.11 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 t -89.33 -26.59 21.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.805 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -75.25 -26.52 58.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.15 -55.21 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -29.32 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -92.86 -26.18 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -26.34 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -87.79 -30.16 20.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.11 -25.68 46.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -78.73 -25.9 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.31 25.24 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -128.33 160.58 31.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.9 t30 62.95 26.27 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.2 157.43 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.99 29.77 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m 52.51 -170.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -130.54 -67.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.9 p -91.61 144.79 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -157.85 36.46 0.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -116.56 -73.99 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m 63.16 -177.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.1 p -168.09 141.93 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.82 92.38 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.38 -178.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -113.08 118.2 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.83 146.7 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt 59.79 178.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.67 -53.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.66 72.86 52.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.717 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -161.29 38.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 p -77.38 162.68 27.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.69 100.02 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -161.36 136.34 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.66 132.82 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 176.4 19.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ttp -162.87 -175.47 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -171.9 176.45 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.99 134.81 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -134.67 149.61 50.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.1 151.75 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.8 121.44 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.75 153.32 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 126.44 54.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -140.89 142.17 34.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -88.36 86.93 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.06 139.58 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 168.71 19.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.75 23.56 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.77 168.59 21.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.0 Cg_endo -69.77 167.76 69.93 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.37 -0.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -47.14 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -170.94 -63.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtm -134.25 -179.7 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -77.76 -69.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 m 58.02 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 62.16 -171.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -111.03 38.56 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 -176.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 62.35 28.21 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.37 143.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.46 -31.26 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.9 137.72 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.86 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.87 160.52 60.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.27 37.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.7 p -81.15 -29.62 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.13 46.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -94.3 166.11 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 p -110.21 -172.75 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.86 -26.0 56.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -42.25 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -55.9 -26.52 47.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.8 t -81.22 -25.98 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -55.4 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.49 -49.94 66.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -52.86 -43.8 66.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.09 -57.53 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.58 -27.46 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -74.23 -49.75 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.06 -25.26 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -62.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.25 -64.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -62.96 -26.35 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 63.19 57.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.34 -177.17 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 132.49 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 57.84 92.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.8 tt -150.46 139.22 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.45 133.74 51.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.6 -28.59 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -29.36 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -27.6 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.87 28.15 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -134.55 28.73 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.09 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.91 137.43 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.88 43.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.44 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.11 -34.74 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.03 -57.41 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 31.7 p -65.87 -26.6 67.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.41 151.41 47.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.24 -176.87 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -31.9 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.06 -51.05 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.74 -39.61 81.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -73.31 -32.84 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.45 -30.07 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -74.73 -26.45 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.02 17.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -150.6 173.65 13.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.1 p -68.2 172.06 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -44.03 92.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -54.51 -37.7 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -82.16 -36.8 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -57.63 -38.91 75.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.36 -30.5 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.3 t -72.62 -25.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.3 mt -88.63 -57.92 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -50.27 61.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.2 t -52.72 -53.05 53.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.44 -48.99 77.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.79 -26.12 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -85.54 -26.73 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.17 -40.44 89.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.26 -36.59 84.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -64.78 -32.39 74.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.55 -26.3 67.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.4 t -52.67 -30.2 30.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -29.79 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.48 -26.14 40.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -91.82 -30.04 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.48 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -58.29 144.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.34 175.27 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.57 161.97 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.7 p -128.09 131.41 49.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 p -174.01 102.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -108.59 124.13 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.4 p -139.5 172.35 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.65 72.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 178.84 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -165.88 165.63 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.84 -71.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.05 169.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.64 94.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 m -96.9 -179.01 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.9 158.33 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 126.77 30.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.01 123.06 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.87 160.63 65.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.72 92.08 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.73 122.73 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.96 176.07 15.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -179.67 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -112.01 158.47 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.13 171.82 54.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -102.26 105.72 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -90.86 138.21 31.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.18 119.89 40.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.11 175.4 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 p -150.46 73.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.47 140.14 30.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.0 mmt -88.4 177.29 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.59 147.94 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.49 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.31 41.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -72.75 173.88 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 167.18 13.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.72 168.56 21.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.1 Cg_endo -69.84 167.73 70.24 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.9 35.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.27 -57.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.95 172.27 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.4 p -145.05 120.11 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -160.83 73.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -141.94 -50.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.63 134.24 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.45 175.88 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -62.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.8 p -175.35 132.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt -117.61 -29.15 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.5 137.75 10.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.694 0.759 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.242 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.32 160.71 49.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.99 29.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.3 p -82.44 -32.6 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.64 42.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -94.62 155.97 16.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 t -115.18 167.72 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -30.92 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.02 -32.08 71.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -83.04 -42.94 16.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.57 -27.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.47 -54.84 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.2 -48.57 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.17 -45.79 65.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.87 -58.73 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.41 -30.37 39.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -74.59 -51.5 14.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.39 -51.22 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.03 -25.29 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -84.14 -63.29 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.87 -64.28 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -61.55 -26.11 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m 63.1 60.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.23 -170.4 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptp -158.22 134.09 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 61.69 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.12 137.79 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.36 133.74 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.47 -28.18 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -32.1 58.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -30.64 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -100.99 26.3 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -79.06 -33.23 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -161.08 44.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 ttp -90.78 133.69 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -65.66 138.08 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.12 -28.58 42.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.42 95.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.26 -33.9 43.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.1 m -76.67 -41.21 46.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -59.04 -28.77 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmm -69.99 131.76 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -111.36 -171.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.68 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -80.34 -53.48 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -56.45 -33.92 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -79.9 -28.64 39.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.46 -26.88 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -74.66 -27.88 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.35 -43.11 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -140.91 172.4 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -70.6 166.54 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -40.82 93.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.99 -30.02 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.25 -37.36 12.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -52.64 -42.01 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.62 -29.16 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -74.28 -27.06 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.81 -55.36 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -52.67 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -55.29 -34.72 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -71.39 -39.12 71.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.86 -27.95 62.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -88.28 -27.61 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -64.17 -42.83 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.6 -32.59 71.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -59.23 -33.01 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.87 -30.41 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -27.49 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.6 p -55.12 -27.63 46.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.03 -27.31 43.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.09 -31.51 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.72 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.96 124.18 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.0 179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.03 177.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.4 t -158.98 169.8 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.6 t -71.0 106.84 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -169.1 90.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 m -83.63 120.65 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.3 129.49 55.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.74 162.44 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 95.7 p -115.65 125.69 53.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.02 136.71 25.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -124.76 135.53 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 144.13 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.79 121.2 21.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.5 t -143.74 133.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.8 mttt 53.34 65.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.47 96.34 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t70 54.47 70.06 1.84 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.49 -172.94 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 61.2 -178.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.43 132.92 7.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.79 159.25 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -147.19 -177.5 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.15 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 ttt -162.87 150.66 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.72 141.7 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 125.55 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.0 103.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -147.27 58.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -100.25 177.7 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.27 142.62 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -173.85 114.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -122.26 146.62 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.03 100.71 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -90.72 120.36 31.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 169.15 20.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.74 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.1 Cg_endo -69.8 168.6 21.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.2 Cg_endo -69.74 167.7 70.05 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.382 -0.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.2 25.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -98.59 -55.93 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 61.67 -175.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.6 p -147.56 78.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -81.61 -73.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -144.79 141.72 29.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -172.69 81.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -124.73 79.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.69 28.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.94 137.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 tt -100.98 -31.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.8 137.74 10.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -72.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.13 160.6 38.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.45 36.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.7 p -82.87 -26.56 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -106.65 48.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -97.0 159.71 14.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -112.04 172.34 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -61.87 -27.15 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -78.47 -29.59 46.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -77.97 -26.05 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.94 -25.98 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -90.31 -31.6 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.29 -50.96 11.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -52.47 -39.76 61.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.64 -68.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -35.71 53.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.88 -56.02 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.48 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.02 -25.24 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -62.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -54.48 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -61.69 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 t 63.21 57.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.86 -170.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.04 144.88 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 59.39 81.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -147.05 141.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.91 133.38 36.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -31.24 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -30.52 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.24 -28.06 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -107.4 26.32 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -73.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -117.07 26.41 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.88 129.44 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.04 137.21 56.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.98 44.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -27.1 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.77 -27.5 61.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.84 -57.35 12.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.51 -26.57 67.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -69.5 -37.06 77.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmm -57.34 134.03 55.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -105.55 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -55.3 -28.91 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.45 -56.35 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.83 -35.97 58.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -77.86 -35.17 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.68 -31.44 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -26.28 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.03 -40.19 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -146.27 172.39 13.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 p -70.8 159.11 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.87 -40.57 66.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -54.4 -30.46 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -91.51 -37.53 13.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.8 m -55.58 -32.66 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.99 -26.58 59.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.87 -28.05 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.38 -59.63 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.37 -48.44 65.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -54.11 -48.41 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -61.74 -45.36 94.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.65 -26.59 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.9 t -87.29 -26.69 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.49 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.46 -41.99 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -30.74 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -27.34 60.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 t -67.66 -27.1 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.8 t -54.76 -27.24 39.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.95 -26.97 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.92 -29.86 50.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.14 63.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.94 101.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -146.42 52.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.53 122.48 15.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.74 -48.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -154.23 147.21 24.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -124.75 111.86 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.4 t -117.5 146.53 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.87 74.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.77 67.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 p -116.44 43.84 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -105.23 91.76 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -120.6 147.5 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.81 103.79 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.63 168.3 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.7 m -124.69 168.3 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -164.25 138.93 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -109.9 162.71 14.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 160.06 1.04 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -63.47 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -144.48 174.57 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.98 144.79 34.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -140.27 71.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.56 144.37 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.61 172.32 55.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.58 121.29 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -83.3 170.69 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.09 145.24 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -128.69 165.0 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.16 171.34 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -112.7 150.29 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.11 148.69 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.59 150.54 40.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -127.31 138.33 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 -174.99 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.09 118.51 28.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.53 177.44 0.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.72 23.73 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.5 Cg_endo -69.76 167.73 70.01 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.309 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -175.05 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.26 -56.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.19 -68.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -142.73 38.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 t -79.6 -27.87 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -155.35 -62.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 55.15 27.37 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 55.84 83.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -148.52 -73.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -173.75 126.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.68 -32.42 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.7 137.72 11.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.3 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.15 160.57 35.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.15 37.8 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -78.26 -32.01 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.48 49.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -99.63 160.88 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 t -118.81 168.45 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -55.73 -26.38 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -27.93 58.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -87.39 -28.74 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.6 t -71.98 -30.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -89.72 -47.92 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -57.94 -49.01 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -52.32 -55.96 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 tp -55.11 -56.78 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.4 -31.5 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -76.6 -44.65 33.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.93 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.67 -29.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.85 -65.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -61.8 -26.32 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t 63.04 52.63 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 27.1 mt -68.69 -170.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -154.13 123.83 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 62.3 93.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -145.54 137.22 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 133.64 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -35.27 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -55.84 -27.59 52.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -26.56 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.84 26.35 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.46 -32.08 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -156.9 55.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.79 139.25 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.76 137.38 57.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.24 -26.76 29.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -31.72 70.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.92 -37.86 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.18 -31.05 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 m -76.1 -42.19 47.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.42 -30.53 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtp -62.4 112.4 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -171.91 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -31.67 44.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.24 -53.96 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -52.39 -44.9 65.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -70.63 -34.09 71.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.57 -26.78 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -74.34 -32.75 62.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.84 -42.64 17.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -142.09 173.46 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -70.78 171.96 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -41.29 96.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -56.64 -30.92 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -89.35 -37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.24 -33.32 69.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.93 -27.91 62.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.87 -25.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -86.68 -58.22 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.7 tp -52.7 -52.85 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 t -54.33 -35.16 62.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.69 -49.85 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -26.76 68.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.9 t -85.77 -28.1 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.67 -38.43 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -32.65 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -59.32 -31.3 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.4 -29.72 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 t -60.41 -29.48 69.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -93.42 -30.01 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.3 mt -55.41 -26.2 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.53 -30.01 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.96 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -60.5 174.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -88.45 173.68 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.24 170.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 m 62.59 36.4 13.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.4 175.32 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.24 153.1 49.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.56 178.14 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -53.79 151.8 6.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m -114.96 -174.37 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.5 p -95.01 -177.59 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -138.29 176.81 8.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.6 177.22 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.1 166.53 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 76.3 t -79.55 129.68 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.01 133.38 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 -34.18 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.08 160.55 51.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 56.68 87.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.37 -171.91 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.67 -165.59 11.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 t -156.36 88.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.97 -171.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.31 62.41 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 tpt -137.97 136.5 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -150.56 177.05 10.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -131.97 169.47 16.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -124.64 82.59 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.86 -177.11 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 111.33 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.87 128.93 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.12 97.5 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.99 167.17 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.61 139.73 10.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -77.18 158.54 30.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.92 169.52 50.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.76 23.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.77 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.73 167.79 69.68 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.323 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -32.9 17.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.66 154.21 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 mtm -90.26 173.46 8.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 t -152.48 153.08 32.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.08 178.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -72.26 -57.29 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.7 72.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.54 95.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.16 -65.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.77 129.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.38 -31.33 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.03 137.73 10.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -74.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -117.68 160.6 37.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -78.59 -32.41 47.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.87 52.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -102.06 164.92 11.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -123.87 168.55 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -56.19 -25.89 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.6 -26.14 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.94 -28.05 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.5 t -76.38 -27.62 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -90.2 -49.42 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.4 -49.28 77.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -52.86 -50.48 63.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.7 -55.88 29.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -52.66 -47.99 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.56 -46.18 91.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.56 -54.15 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.77 -25.77 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.34 -60.85 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -61.96 -26.31 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t 63.16 59.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.7 mt -85.86 -175.85 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -160.61 157.46 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 54.27 64.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 tt -130.77 150.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.15 133.98 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -28.04 68.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.91 30.86 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.33 -74.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.93 33.0 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.32 133.64 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.61 138.11 57.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.74 -34.43 44.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -28.34 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -36.82 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.15 -26.57 39.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.55 -47.94 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -57.53 -27.97 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -65.47 128.64 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -103.22 -173.72 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -61.79 -33.41 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -72.41 -41.27 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.02 -51.56 63.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -60.36 -31.74 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.27 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.46 -30.48 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.69 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -161.05 171.89 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.7 p -68.88 160.05 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 tp -54.81 -40.42 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -52.72 -33.92 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -87.87 -35.26 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.6 m -62.0 -42.51 99.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.52 -31.0 72.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.87 -42.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.88 -59.12 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.61 -44.32 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.5 t -52.77 -61.34 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.08 -27.37 53.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.73 62.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.23 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.09 -32.86 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 67.5 mt -70.99 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -55.19 -29.72 58.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -57.73 -26.23 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.1 m -75.48 -36.14 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -26.65 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.33 -28.76 30.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.33 -29.56 28.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.33 33.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 168.56 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.31 103.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.57 170.12 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.84 173.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.0 m -72.95 89.86 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.44 176.08 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 p -151.08 37.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -79.43 157.68 27.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -124.68 38.57 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.8 p -95.74 143.67 26.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.16 162.44 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.85 173.37 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.1 146.63 23.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 m -151.14 98.76 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.38 133.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 138.83 49.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 102.84 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.65 160.56 35.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -104.51 157.28 17.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -95.62 113.62 25.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.83 75.07 1.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.75 168.01 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.71 100.61 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.45 131.57 14.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mtm -80.72 -74.32 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -175.09 49.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -75.43 85.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -27.69 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.1 p -71.27 150.14 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -170.21 162.73 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.77 121.39 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.87 147.21 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -124.87 129.56 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -149.84 129.4 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -89.52 174.08 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.38 -174.35 28.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.75 23.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.469 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.8 168.63 21.07 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.76 167.75 69.91 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.374 -0.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -35.65 12.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.688 2.258 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.92 171.54 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.85 -31.38 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 t -139.79 141.97 36.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 p -141.1 149.83 42.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -89.98 -175.37 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -124.17 26.32 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 52.8 80.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.3 27.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 p -175.74 140.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 tt -87.21 -33.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.0 137.73 10.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.35 -70.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.87 160.63 43.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -15.23 36.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -77.64 -33.56 53.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.24 53.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -102.34 158.46 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -116.93 168.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -56.02 -30.73 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.57 -26.89 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -86.07 -26.34 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -76.17 -25.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -56.92 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.42 -46.78 66.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -52.2 -47.13 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.17 -49.78 63.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.53 -26.52 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -71.8 -60.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.82 -51.59 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.9 mt -57.52 -25.37 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -64.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.26 -63.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -62.46 -26.32 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.02 63.35 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -86.49 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptp -155.73 140.72 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 58.64 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 tt -154.25 143.06 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 142.43 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.15 -28.98 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -27.76 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -106.22 27.28 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -73.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -125.13 38.2 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 tpp -72.58 135.79 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.45 137.37 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.86 -43.12 60.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -63.07 -27.05 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.09 -34.24 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.12 -51.67 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -56.99 -26.02 59.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -53.63 124.72 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -94.41 -170.52 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -60.17 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -51.9 -37.8 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -32.01 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -94.09 -34.47 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 mt -56.08 -25.58 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -75.88 -26.26 56.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.72 -46.95 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 t -136.04 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -73.18 -179.44 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -43.61 76.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.05 -30.03 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -93.54 -37.85 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.6 m -52.14 -47.29 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.3 -26.38 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.99 -27.1 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.47 -57.58 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -61.13 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t -52.07 -52.91 48.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.76 -42.6 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -25.88 67.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.5 p -86.31 -26.74 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.79 -37.27 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.96 -36.54 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.17 -33.46 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -28.26 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -29.92 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -91.55 -27.04 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.05 -26.93 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.94 -26.89 23.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.89 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -70.63 105.79 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.41 -171.33 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.4 p -63.73 94.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.9 171.15 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.0 m -139.12 33.21 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -171.1 150.67 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 32.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.99 176.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -138.67 113.88 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 p -136.74 135.96 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 93.3 p -119.73 147.89 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -80.71 161.1 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.6 73.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -113.49 76.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.92 100.09 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tptt 52.87 61.52 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -123.76 96.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.94 160.59 68.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -46.98 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.01 171.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.96 87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -171.78 112.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -135.91 152.59 51.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 169.86 11.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.07 169.09 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.42 103.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -148.73 66.29 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.81 128.23 44.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -122.41 150.57 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.19 151.65 40.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 mtm -56.38 140.75 44.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.33 155.08 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -134.02 97.65 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -66.64 149.42 50.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.87 147.73 35.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.56 169.07 54.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.9 Cg_endo -69.77 168.66 20.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.71 167.72 69.85 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.332 -0.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -21.63 33.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -156.74 157.52 35.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.16 -173.04 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -144.12 85.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.36 128.02 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 57.67 -171.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.02 114.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -141.94 43.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.92 113.67 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.67 136.48 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 tt -90.5 -32.24 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.22 137.69 10.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.87 160.65 36.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -14.7 36.2 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -79.22 -30.82 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.13 53.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -102.33 165.8 10.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 t -124.71 168.57 13.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.92 -26.38 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -26.85 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -88.67 -27.62 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.39 -28.53 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -50.01 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -56.89 -48.63 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -52.82 -46.04 67.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.6 -51.39 69.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.84 -26.8 66.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -80.17 -41.82 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.42 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.95 -25.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -62.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -63.49 -26.32 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m 62.98 59.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.5 -170.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.1 ptp -156.39 137.56 13.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.97 94.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -156.34 138.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.73 137.44 42.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -108.71 -33.09 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -26.77 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -26.99 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -113.46 26.4 10.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -84.21 -32.15 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.75 35.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 ttp -86.62 131.0 34.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -65.64 138.08 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.14 -30.36 38.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.83 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.38 -34.69 58.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.25 -27.22 54.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.24 -49.57 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -57.66 -26.87 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 mmm -60.72 126.6 28.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -109.53 -176.05 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.1 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.67 -50.79 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.03 -45.43 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.43 -27.86 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.0 -27.49 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -77.32 -27.21 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.4 -32.19 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -153.98 172.62 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 p -68.48 171.44 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -40.94 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -56.24 -37.08 69.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -82.86 -36.98 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.0 m -56.87 -39.44 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.68 -28.9 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.9 t -77.08 -26.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.77 -55.63 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.4 tp -54.59 -52.72 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.5 t -52.94 -40.42 63.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -65.55 -44.99 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.12 -26.01 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -26.61 25.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.75 -42.13 96.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.96 -35.47 81.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -66.18 -36.75 83.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -59.22 -28.66 66.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -27.53 66.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -27.55 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.6 mt -55.82 -26.78 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.48 -29.83 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.82 79.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.69 98.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -125.43 -69.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.93 144.6 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.21 143.58 20.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.32 178.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -137.24 149.29 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 152.56 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.72 177.16 11.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.96 169.29 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -146.36 155.25 42.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.4 178.68 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -173.84 166.57 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.74 120.17 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 p -162.33 57.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.16 145.62 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 130.73 50.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.04 162.84 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.98 160.58 27.61 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.4 124.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -175.7 166.5 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 128.41 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 81.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.99 166.35 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.99 92.33 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 mtp -143.97 174.43 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.44 -62.28 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 56.23 86.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -104.57 -177.42 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.3 m -151.84 161.92 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -120.34 108.15 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mmm -148.57 131.46 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -159.32 139.63 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.1 115.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.03 108.27 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.23 168.7 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.469 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.73 168.62 20.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.72 167.73 69.86 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.313 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -38.52 7.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -136.42 151.65 49.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 57.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -136.06 157.35 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.95 -73.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -139.3 121.61 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -165.61 -177.79 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -130.26 151.0 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.25 96.03 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.9 126.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 tt -114.54 -30.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.68 10.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.388 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.97 160.62 31.6 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -16.32 37.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 p -98.25 24.91 6.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -150.75 28.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -78.93 170.86 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 -173.57 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.5 -26.76 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.7 -44.65 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -56.19 -26.04 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.0 t -78.06 -28.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -52.98 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.48 -49.15 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -54.71 -44.91 73.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.8 -58.91 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.96 -38.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -68.73 -46.67 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.47 57.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.62 -26.05 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -61.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.27 -62.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -61.99 -26.39 68.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t 62.86 56.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.02 -176.61 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.03 140.11 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 60.32 82.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.23 139.68 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.83 133.78 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -27.84 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.46 -31.41 71.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.97 28.67 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.49 -68.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 27.77 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 31.1 ttm -63.23 134.11 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.04 137.67 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.35 -44.36 58.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -64.12 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.62 -30.15 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -56.28 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.56 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.09 130.47 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -96.17 -176.93 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.11 69.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.99 -37.07 75.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.87 -51.67 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -62.49 -26.54 68.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.65 -32.06 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.26 -42.07 12.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -143.75 173.72 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -69.9 169.08 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -38.95 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.95 -32.59 67.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -87.34 -40.52 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.4 m -53.85 -39.0 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.59 -26.67 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.66 -25.38 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 mt -85.7 -59.86 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -47.35 65.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 t -52.74 -56.95 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.84 -32.9 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.58 -26.6 61.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.4 t -88.1 -30.58 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -53.9 -29.65 42.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.964 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.42 -33.37 64.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -64.53 -40.03 94.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.97 -27.82 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -61.89 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.09 -29.59 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.8 mt -55.71 -26.16 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -79.97 -28.72 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.51 72.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.34 -69.75 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -62.06 -33.18 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.6 110.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.81 146.82 38.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -120.06 35.74 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -147.08 96.52 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -155.05 137.2 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -77.75 162.42 26.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -151.82 147.21 26.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -147.86 108.63 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.6 m -99.58 78.51 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -116.94 33.78 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 58.42 178.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.0 m -108.59 35.33 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.47 75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.84 174.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 58.26 36.99 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.93 155.66 89.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.598 0.713 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.296 . . . . 0.0 112.326 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -155.5 96.37 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -143.38 144.65 32.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.0 -135.82 3.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.67 -175.99 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.02 140.48 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.9 160.56 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.7 ttt -155.71 147.11 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -130.6 -66.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.05 -170.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -162.38 -173.86 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -160.84 111.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -144.36 137.29 27.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -125.68 122.05 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.19 112.8 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -112.73 158.12 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.91 89.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -160.19 146.24 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.5 168.64 16.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.68 23.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.71 168.62 20.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.78 167.72 70.11 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.319 -0.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -25.26 28.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -163.96 166.76 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -169.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -152.76 153.59 33.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -138.53 25.07 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 63.26 161.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.16 166.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -76.19 140.4 41.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.804 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -54.77 -73.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -177.35 129.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 tt -113.24 -33.77 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.32 137.74 10.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.87 160.56 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.16 34.27 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 p -82.81 -25.63 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.25 50.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -102.33 160.15 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.5 t -121.91 170.11 10.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -54.71 -28.08 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.56 -30.19 62.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -86.71 -26.96 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.4 t -73.6 -28.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.35 -55.2 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -52.37 -49.16 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.27 -47.02 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.7 -52.5 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.36 -26.76 53.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -74.34 -51.12 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.94 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.48 -25.16 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -89.64 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -63.34 -26.57 68.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t 63.06 57.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 mt -73.07 -170.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.07 131.67 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 59.08 94.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.5 tt -146.8 140.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.4 133.44 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -36.05 6.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 p -57.35 -26.89 61.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -26.4 63.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -114.72 26.51 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.13 -31.11 25.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -155.48 41.11 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -89.75 134.27 34.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.37 136.32 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.67 -30.93 36.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -39.26 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.32 -36.26 83.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -53.2 -28.77 28.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 m -82.33 -48.4 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -57.5 -26.93 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -68.56 130.27 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -110.61 -175.0 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -30.18 28.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -63.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.61 -32.74 41.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.25 -28.45 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -75.23 -26.23 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.07 -36.89 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.03 173.49 12.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.7 p -68.46 177.17 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.48 -43.91 79.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -52.25 -48.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -69.66 -44.0 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.6 m -54.29 -33.66 59.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.45 -28.82 66.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.3 t -82.64 -43.02 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.66 -57.94 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -52.31 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 t -52.17 -55.3 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -52.34 -50.9 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.37 -26.09 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 m -86.47 -26.57 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.93 -37.28 86.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.96 -44.01 97.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -57.55 -27.15 62.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.91 -26.15 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 t -52.17 -30.82 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.86 -32.1 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.2 mt -56.58 -24.71 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.54 -29.11 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.69 40.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.18 96.43 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -169.24 -177.52 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.69 120.42 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -74.39 128.05 34.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.41 92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -63.4 157.87 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.99 140.43 24.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -95.76 -35.83 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 57.03 60.2 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.1 m -133.32 109.92 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.1 p -168.79 41.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.46 118.41 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp -108.45 148.64 29.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.7 p -95.83 132.69 40.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.86 145.02 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 153.53 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.74 178.54 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -152.49 70.11 7.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.736 2.291 . . . . 0.0 112.358 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.49 -34.12 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.838 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m 60.45 -175.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 83.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -127.69 152.97 47.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -140.62 175.47 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 118.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 ptm -98.0 164.43 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -83.35 123.91 30.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.21 86.22 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.48 173.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -117.23 178.92 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -100.17 87.05 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.6 143.95 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.34 127.3 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.11 98.41 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -98.34 176.9 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -63.71 153.59 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.49 176.22 54.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 167.78 23.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.75 167.76 69.88 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -37.52 9.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 54.83 43.25 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mtp 61.25 -178.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -68.81 -56.69 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 p -128.92 168.28 16.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -91.72 -50.89 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.22 170.85 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.0 27.61 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -68.8 -70.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -104.83 139.01 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 tt -89.06 -31.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.01 137.71 10.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 -48.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.34 160.55 45.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -16.64 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.86 56.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -102.98 165.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -123.03 167.1 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.01 -28.18 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -28.14 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -86.8 -28.22 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.3 t -73.31 -28.29 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.48 -51.75 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.08 -48.01 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -53.83 -46.9 71.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.28 -59.21 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.95 -32.39 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -73.09 -48.55 34.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.23 -25.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.92 -65.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -62.24 -26.54 68.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t 63.14 54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -71.69 -171.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -157.76 134.59 9.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 63.18 85.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -146.74 139.79 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 134.18 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.74 -30.12 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -26.69 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -27.98 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -109.36 32.07 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.14 -28.01 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -152.0 26.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 tpp -76.57 135.12 39.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.4 137.59 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.89 -33.97 44.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.04 -27.22 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.34 -35.28 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -48.2 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.15 -27.85 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -71.64 -33.07 68.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.6 mtp -52.49 117.12 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -90.35 -170.92 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -33.12 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -76.79 -43.02 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -56.13 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.7 -32.7 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.25 -31.0 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -73.61 -28.18 61.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.08 -38.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.97 173.06 13.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -70.06 168.74 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -41.32 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -52.92 -42.56 65.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -79.46 -39.6 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.8 m -52.3 -38.96 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.59 -30.41 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.6 -27.7 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.02 -54.12 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.28 -41.34 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.6 t -60.86 -39.59 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -69.37 -44.76 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.3 -26.36 65.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 m -87.24 -28.32 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.84 -32.05 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.7 mt -74.48 -27.38 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -61.5 -36.58 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.69 -29.32 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -26.5 41.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -93.3 -33.44 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.73 -23.44 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.34 -21.27 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.7 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.46 164.74 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 53.15 82.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -129.38 98.66 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.85 -43.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 155.51 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -56.95 157.75 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.97 101.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.34 55.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 114.41 26.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.91 -179.94 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t 57.93 -179.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.25 33.54 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.76 105.2 17.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 176.6 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t 52.47 76.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 128.68 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.98 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.87 160.62 73.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.35 -170.72 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -166.75 -178.61 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 146.33 4.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.83 137.19 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.63 172.24 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.3 136.27 7.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.28 119.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.27 157.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.75 132.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.23 143.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.47 135.87 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -131.57 140.02 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtt -75.67 123.13 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.16 110.71 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.16 176.84 10.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -163.07 89.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -156.8 157.95 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.17 -175.53 13.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.73 23.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.6 Cg_endo -69.73 168.61 21.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.333 -0.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.9 15.5 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -128.74 48.31 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -99.14 -31.61 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.1 p -62.92 106.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.16 43.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -131.45 167.22 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -135.51 156.04 49.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.32 45.08 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.42 107.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -166.42 143.53 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 tt -98.68 -30.26 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.73 10.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.153 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.21 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 160.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.55 37.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -75.83 -36.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -101.51 53.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -101.09 166.73 10.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -123.18 168.57 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -56.75 -27.34 59.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -27.92 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -86.68 -27.0 24.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.9 t -74.73 -29.26 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -90.26 -50.0 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -55.85 -49.24 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.05 -49.04 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.61 -49.18 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.88 -26.72 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -77.71 -58.16 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -53.15 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.0 mt -55.6 -25.66 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -83.5 -60.08 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -61.3 -26.28 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m 63.0 55.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -80.68 -171.99 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -163.33 147.94 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 63.22 67.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 tt -132.78 146.13 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 136.46 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 -34.18 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -60.99 -26.69 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -27.42 62.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -112.09 26.65 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.07 -27.85 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -158.06 49.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -102.09 142.86 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.27 137.46 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.8 49.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -66.35 -29.28 69.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.95 -34.48 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -53.06 -43.68 66.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.52 -42.72 67.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.78 -32.91 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.05 126.99 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -103.42 -173.54 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.06 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.28 -51.76 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.65 -40.86 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.76 -28.9 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.92 -26.3 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -75.37 -26.38 58.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.42 -41.44 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -139.36 173.13 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.0 p -71.24 172.55 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.63 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.51 -34.97 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -84.12 -41.08 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.4 m -54.32 -36.63 63.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.43 -27.08 63.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.9 t -80.12 -38.18 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.79 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.52 -50.55 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -54.9 -46.34 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.71 -51.43 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.7 -26.0 42.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -89.64 -26.59 20.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.0 -27.2 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.19 -53.09 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -26.84 57.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -81.29 -27.85 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -84.7 -27.03 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.2 p -56.0 -25.57 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 mp -56.76 -24.65 51.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 pp -71.4 -21.66 61.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.39 -61.34 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -67.83 141.86 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -140.14 -172.43 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.5 p -57.8 153.23 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.36 172.43 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.6 -172.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -174.72 -176.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.86 153.83 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -100.6 137.81 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -134.47 141.84 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 t -96.5 136.42 37.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 m -159.05 84.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -174.66 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mt -150.97 145.02 25.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -126.94 79.25 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -58.43 164.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.5 140.42 38.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -137.36 -49.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.64 160.58 68.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.95 112.41 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -151.03 108.24 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.0 -172.97 21.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.8 140.47 48.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.838 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -87.62 178.98 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.59 68.77 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttp -102.28 133.12 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -145.13 144.41 30.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.37 121.87 26.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -87.14 -32.06 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 m 54.8 90.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -96.35 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.02 131.44 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.14 171.3 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.76 102.64 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.06 136.58 35.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.43 78.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.3 171.96 30.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 167.75 23.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.4 Cg_endo -69.77 168.62 21.06 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.76 167.79 69.79 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.338 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -47.1 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -151.96 129.43 11.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -101.34 138.1 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.5 p 51.39 -171.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.4 p -96.59 38.87 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.13 -175.96 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.74 40.32 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 53.03 85.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -66.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -172.41 136.89 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt -95.53 -30.59 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.64 137.73 11.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.24 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.91 160.59 38.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.99 37.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 p -81.62 -25.84 35.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.69 49.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -97.93 163.01 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.3 p -108.26 -173.14 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.37 -29.71 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.85 -41.33 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -58.14 -27.09 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.1 t -79.04 -25.74 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -52.48 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -53.22 -47.48 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -52.09 -54.77 26.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 tp -54.47 -49.28 70.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.21 -26.85 66.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -80.69 -46.7 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.51 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.57 -25.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -62.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.27 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -61.47 -26.34 67.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 t 62.66 54.41 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -176.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.63 130.28 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 63.05 97.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.6 tt -154.48 137.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.74 133.39 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -33.76 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -26.8 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -26.81 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -111.83 27.42 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -88.95 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -155.35 56.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.6 ttp -110.55 141.44 43.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 137.62 54.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -42.07 55.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -33.8 72.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -39.31 93.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.82 -31.17 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.7 m -75.88 -42.07 50.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.93 -28.34 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.4 mtp -62.53 113.43 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -91.68 179.18 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -30.75 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.09 -51.44 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -53.18 -45.13 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.2 -36.13 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.15 -29.73 68.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -73.46 -26.22 60.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.59 -42.77 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -141.5 173.27 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -71.83 161.74 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.85 -40.36 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -52.39 -34.94 50.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.87 -41.21 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.3 m -57.0 -42.72 80.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.52 -30.11 71.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.03 -25.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.9 -59.9 2.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.27 -45.08 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -59.23 -48.03 83.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -59.03 -53.21 60.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.87 -26.2 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -86.92 -26.72 23.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.24 -36.8 85.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.96 -38.12 84.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -32.13 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -26.39 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.3 t -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -54.72 -27.17 38.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.03 -28.02 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.98 -31.19 71.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.63 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.35 155.75 40.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -53.86 136.14 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.07 162.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.2 t -117.66 -31.55 5.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.06 -175.65 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -68.35 121.96 17.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 p -116.6 177.85 4.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.98 53.38 4.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -87.01 55.65 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.11 179.82 5.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t 59.19 80.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -99.51 62.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.14 107.72 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.07 177.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.2 m -66.57 156.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.52 53.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.52 114.99 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.91 160.56 28.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.252 . . . . 0.0 112.376 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 163.43 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -161.34 148.03 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.36 154.59 21.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -164.1 165.24 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.37 -170.14 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.22 -129.39 2.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.53 164.85 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -146.91 176.02 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -140.43 160.38 40.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -124.4 178.91 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.44 155.22 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -147.21 174.74 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -163.6 144.46 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.7 169.46 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.03 159.7 28.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -62.31 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 57.35 93.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 166.62 38.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 167.71 23.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.74 168.58 21.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.3 Cg_endo -69.77 167.8 69.78 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 173.54 10.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -68.35 -40.97 81.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 55.84 89.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -142.12 87.3 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p -109.25 144.04 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -97.2 -63.91 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -98.75 77.94 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -172.44 106.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -120.28 -70.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -176.33 129.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt -111.64 -29.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.11 137.67 10.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.47 160.6 45.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -78.46 -31.71 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -104.63 52.39 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -101.33 163.21 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -122.27 169.63 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.13 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.43 -26.78 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -88.97 -26.37 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.9 t -76.48 -29.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttp85 -89.59 -47.74 7.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -59.11 -49.66 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -52.3 -49.93 63.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -51.41 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.36 -29.92 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -77.64 -53.43 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.93 -51.45 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.4 -25.47 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -63.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.16 73.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.6 mt -98.91 137.37 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -114.29 -15.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -118.67 68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.2 tt -145.07 143.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.67 135.06 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -28.04 11.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -34.27 77.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.24 -28.44 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -107.25 31.01 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -69.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.7 56.3 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 tpp -95.62 144.1 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.36 137.68 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -37.73 47.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -28.65 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.49 -36.58 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.72 -53.42 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.4 p -69.36 -26.98 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.38 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.95 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -108.74 -178.45 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -52.03 -33.93 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -73.18 -52.79 12.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -54.89 -38.81 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.98 -31.49 61.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.89 -27.85 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -73.95 -31.06 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.42 -40.72 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -144.58 173.49 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.3 p -69.73 173.28 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.91 -43.43 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.22 -31.93 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -90.02 -39.66 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.3 m -52.64 -39.42 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.7 -26.71 61.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.4 t -77.71 -25.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.03 -57.86 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -50.69 63.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.7 t -53.86 -41.02 67.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -65.68 -43.63 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.19 -26.01 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -26.82 22.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -67.71 -34.36 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.96 -56.87 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -52.45 -30.1 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.49 49.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.8 m -55.34 -33.63 63.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -30.15 15.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -55.6 -26.02 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.64 -32.24 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.2 -33.36 40.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.22 176.77 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 62.7 102.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.53 127.31 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.0 t -60.1 -25.85 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -55.03 161.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -166.05 177.98 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 p -54.23 145.53 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -64.47 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -74.71 105.96 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.0 p -149.41 42.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.6 m -79.53 125.2 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -117.84 154.0 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp 62.27 177.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.4 p -178.72 170.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.37 -179.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 153.93 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.49 -54.07 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.84 160.1 34.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.0 103.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.18 89.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.43 106.59 2.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.41 95.8 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -139.96 138.79 35.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.04 36.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.44 164.68 21.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -115.54 136.94 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.92 -37.12 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 61.09 -170.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.07 104.3 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -83.02 178.17 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.19 173.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.6 -26.83 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 63.21 91.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -74.75 129.58 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -160.77 -176.43 5.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.24 170.8 42.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.75 23.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.77 168.61 21.09 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.76 167.76 69.9 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.323 -0.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -19.83 35.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.47 100.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.65 -177.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -177.13 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.6 134.89 39.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -113.16 136.07 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.36 120.61 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -120.38 139.16 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.52 119.13 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.71 137.98 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tt -96.24 -32.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.61 137.68 10.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.645 0.736 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 160.59 37.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.14 37.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.1 p -78.01 -34.82 50.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.41 50.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -99.72 162.38 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.9 t -120.48 169.48 10.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.54 -26.94 56.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.63 -26.22 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -89.59 -27.27 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.34 -29.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -89.25 -49.5 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -56.44 -49.54 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -52.05 -45.26 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.09 -53.49 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.54 -33.77 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.38 -44.5 58.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.87 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.99 -26.02 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.95 -64.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -52.51 -64.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -61.42 -26.39 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t 63.08 61.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.34 -170.25 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.4 ptp -157.86 137.02 11.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.57 93.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -151.04 136.81 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.66 133.53 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 -35.65 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -26.74 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -27.06 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -113.06 26.42 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -85.53 -31.49 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -157.83 43.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 ttp -91.32 140.5 29.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.69 136.19 55.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.49 -30.81 34.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -33.73 75.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.22 -37.76 84.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.64 -65.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.2 p -56.67 -24.78 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -78.59 -25.86 45.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.5 mmm -69.15 125.68 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.41 -172.42 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -39.12 73.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.41 -53.53 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.11 -29.9 67.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.74 -28.17 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.98 -26.41 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -75.53 -27.94 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.7 -40.77 13.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -144.37 173.46 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 p -70.22 171.33 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -40.95 94.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.11 -29.51 65.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.71 -35.89 14.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.8 m -57.07 -44.7 83.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -62.72 -29.25 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.77 -25.83 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.96 -59.22 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -54.16 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -52.17 -31.92 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -75.07 -46.86 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 mp -66.6 -26.31 67.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.7 t -88.28 -26.82 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -70.26 -41.96 72.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.29 -30.77 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.67 -26.28 66.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 t -75.24 -36.46 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -57.94 -26.59 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.76 -29.2 25.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.65 -25.96 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.72 -40.72 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -60.22 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.28 -69.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.22 -173.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 t -102.88 142.58 33.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.77 169.7 18.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -111.14 80.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.06 158.58 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.79 146.57 43.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.98 130.52 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.01 -58.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -82.11 117.34 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.47 116.75 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.7 t 55.67 85.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.85 132.84 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.02 27.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 52.19 72.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.3 160.57 3.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 56.7 75.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -172.6 179.5 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 -31.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 62.71 -178.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -137.2 148.25 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.75 105.66 2.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.7 ttt -134.44 134.75 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -91.6 146.74 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.39 167.52 25.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.82 134.49 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.49 133.52 12.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -144.45 120.28 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -177.83 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.47 41.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.53 43.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -168.25 156.66 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.26 -179.02 22.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 167.73 23.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.71 168.6 21.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.73 167.76 69.79 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.32 -0.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.23 33.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 116.96 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -178.96 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.72 97.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -98.56 -37.59 9.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -142.81 177.69 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -156.79 50.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -156.5 59.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 -61.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -78.87 151.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.3 tt -102.71 -33.94 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.53 137.74 10.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.4 -72.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 160.61 38.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -15.04 36.92 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 p -78.09 -37.19 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 mt -96.69 43.91 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -94.69 155.18 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.5 p -102.61 -174.71 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -74.06 -28.75 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.21 -39.47 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -56.63 -27.35 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.12 -26.81 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -78.14 -49.83 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -52.85 -39.55 62.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -73.78 -26.06 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.95 -54.38 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.16 -28.49 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -75.83 -57.53 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.5 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.87 -25.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.07 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -61.22 -26.31 67.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m 63.14 54.75 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.1 -170.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -172.04 152.16 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.23 47.41 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -118.52 143.61 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.52 133.39 38.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -30.46 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -61.46 -32.87 72.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -27.43 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -113.69 26.6 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -71.98 -33.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -161.12 37.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -79.81 135.16 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.71 137.26 57.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.55 35.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -59.72 -33.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.59 -37.39 56.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -57.41 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -63.99 -23.68 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -27.5 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.6 mtp -61.21 114.68 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -94.0 -171.62 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -30.78 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.31 -53.62 7.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.41 -42.96 74.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -71.45 -31.2 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.6 -26.68 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -78.29 -27.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.96 -36.25 15.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -147.57 173.11 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 p -70.52 170.76 11.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -39.19 91.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.0 -36.73 65.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.31 -38.71 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.3 m -52.65 -42.35 64.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.79 -26.89 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.4 -25.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 42.8 mt -84.83 -55.99 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 tp -56.22 -51.72 67.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 t -53.48 -35.37 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -72.15 -56.5 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.59 -26.03 41.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -88.48 -26.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -70.96 -27.64 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.68 -58.11 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -27.37 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -30.58 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.9 p -56.97 -29.3 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -89.46 -27.87 20.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.58 -26.6 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 pp -82.64 -28.76 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.62 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.73 96.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.72 -43.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.02 166.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.58 176.81 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.5 -174.6 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.9 167.94 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.4 p -120.75 121.49 38.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.92 153.56 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.03 138.9 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.53 -171.88 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.7 t -152.26 132.13 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.93 42.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.24 35.77 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 m -70.15 117.04 11.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.3 p -130.06 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -138.16 -170.31 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.85 179.59 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.97 160.58 29.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -177.07 37.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.72 101.5 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.67 83.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -179.7 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -103.0 178.06 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.7 127.18 2.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.81 137.61 51.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -120.86 -174.73 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 169.2 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -167.87 -173.73 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.82 -172.06 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.96 130.46 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -139.29 163.81 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -171.05 140.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.68 -70.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 56.89 68.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -175.89 108.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.68 179.47 41.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 167.77 23.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.82 168.65 21.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.74 167.7 70.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.333 -0.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.66 4.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.63 167.88 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.6 ptm -102.53 -27.68 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -136.37 104.27 5.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.71 30.52 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 m120 58.8 -170.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -107.34 177.65 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 62.1 177.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -100.05 -68.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -176.47 132.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -115.0 -33.47 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.96 137.72 10.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.04 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 160.48 26.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -18.72 37.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 p -95.5 30.53 2.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -149.41 25.9 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -81.47 150.71 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.1 p -88.18 -173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -25.94 66.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.49 -47.81 9.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -52.02 -54.17 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.6 t -51.95 -30.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -81.21 -40.76 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -65.89 -47.85 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -52.21 -38.06 56.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.57 -59.97 3.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.46 -34.66 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.25 -52.24 59.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -53.07 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.25 -26.79 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.34 -26.31 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.14 57.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.7 mt -81.51 -177.1 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.45 133.74 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.48 97.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.1 tt -154.13 143.84 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 138.64 58.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -27.96 51.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -107.62 26.46 10.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -71.7 -28.84 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.89 74.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.2 ttp -125.45 144.94 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.15 136.57 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.02 -27.23 37.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -29.88 69.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.42 -33.71 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mp -54.52 -65.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.69 -24.76 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -78.55 -25.83 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mtm -64.2 134.01 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -87.24 -170.19 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -60.96 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -51.68 -37.7 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.38 -33.42 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 -32.12 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.09 -25.1 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.79 -36.41 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.76 -47.79 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -131.96 174.37 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.7 p -78.54 -177.29 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -42.76 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -51.96 -30.15 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -93.51 -38.41 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.8 m -52.06 -41.1 62.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.22 -26.2 61.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.26 -30.92 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.39 -55.1 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 tp -51.99 -30.22 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -71.36 -57.34 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.13 -31.06 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.33 -35.12 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 t -88.23 -26.83 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 mt -62.91 -26.58 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -75.9 -28.85 58.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -27.6 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -54.57 -27.78 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.39 -27.65 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.04 -26.76 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.68 -30.88 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.7 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.85 -60.15 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.33 170.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 m -82.73 -39.03 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.2 t -164.43 159.3 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.18 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.1 p -112.37 128.18 56.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.41 160.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.16 99.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.12 178.48 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 91.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.06 172.89 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.92 123.25 36.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.4 p -66.26 129.03 38.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.8 m -101.16 177.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.55 114.91 3.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.5 141.45 38.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.76 160.59 28.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -170.48 172.46 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -168.85 169.31 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.42 134.27 2.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -156.0 177.43 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.2 157.94 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 169.0 39.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -178.53 171.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -166.37 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.13 167.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -167.47 161.5 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.49 158.93 39.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -160.76 144.07 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mtp -109.62 168.16 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -142.92 -178.69 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.86 161.69 15.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.93 109.91 5.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -115.88 144.29 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.74 173.87 16.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.72 23.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.26 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.74 168.57 21.16 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.5 Cg_endo -69.8 167.75 70.06 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.321 -0.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.41 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.82 -170.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 ptp -173.59 179.66 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.28 97.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.35 70.36 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -150.13 124.65 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -166.02 106.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.31 26.26 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 56.38 26.14 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -177.37 124.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -120.25 -33.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.85 137.72 10.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.34 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.7 160.6 37.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.11 37.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 p -78.76 -32.77 46.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -101.07 50.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -100.4 160.94 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -119.85 167.79 11.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -55.74 -27.38 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -26.99 58.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -86.72 -26.03 24.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.0 t -79.69 -28.85 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.21 -31.97 17.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.56 -47.75 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -53.36 -40.09 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.11 -59.93 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.99 -26.54 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -75.85 -58.15 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.39 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.27 -26.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.34 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -61.61 -26.27 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.17 63.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.21 -170.16 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -162.36 140.54 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 61.96 82.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -146.37 143.15 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.26 135.04 54.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 -36.19 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -67.36 -28.41 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -26.57 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -110.4 26.41 10.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -77.11 -31.66 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -154.15 67.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 tpp -116.74 144.61 44.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.73 136.42 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.18 -30.87 40.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.23 -32.5 64.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -35.27 80.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.98 -56.8 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -23.56 67.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.79 -28.47 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.7 mtp -58.62 112.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.71 -170.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -64.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -52.0 -36.92 51.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.64 -32.39 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -93.89 -33.77 13.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -56.43 -25.68 51.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 -25.91 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.2 -46.11 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -135.96 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -77.36 -178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.61 -42.79 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -52.1 -30.44 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -93.51 -38.05 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -51.82 -41.76 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.65 -26.63 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 94.1 t -78.11 -28.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.57 -55.4 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.4 tp -52.66 -57.59 9.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -52.11 -52.02 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -52.38 -46.55 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.23 -26.03 68.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -26.67 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.34 -40.59 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.0 -39.99 60.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -26.22 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -65.7 -30.64 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.8 m -94.08 -32.51 13.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.73 -24.46 49.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pp -78.94 -32.88 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.47 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -70.65 137.52 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.01 -171.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.6 p -135.11 138.62 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 174.38 10.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.43 96.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -96.54 179.99 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -126.58 171.37 11.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.87 158.23 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -146.79 157.67 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.41 157.47 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.14 153.24 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -25.14 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.15 88.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.9 m -88.03 142.88 27.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.64 144.81 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 169.85 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.61 116.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.71 160.57 76.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -98.78 113.38 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.49 122.21 47.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.56 107.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.86 145.46 31.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.05 116.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.35 169.63 29.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -116.45 155.81 27.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.85 -41.94 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.61 176.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -139.55 -50.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.26 160.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -151.4 135.36 16.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.93 165.84 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -163.86 151.81 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 122.84 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -120.76 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -110.74 175.69 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.36 172.82 23.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.71 23.7 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.1 Cg_endo -69.77 168.57 21.18 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.79 167.72 70.14 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.339 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.85 144.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -120.28 143.23 48.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.5 t -115.69 32.97 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 61.27 -177.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.38 -174.6 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -117.34 30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.5 77.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.78 136.88 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 tt -107.85 -31.11 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.95 137.71 11.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.16 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.28 160.52 47.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.72 37.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -82.84 -26.13 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.55 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -97.16 166.25 11.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.1 p -113.2 -178.99 3.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.36 -26.87 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.31 18.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -56.58 -26.43 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 68.0 t -81.64 -25.42 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -54.09 -49.3 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -54.31 -41.46 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.92 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -30.55 43.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -70.08 -50.79 37.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.42 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.4 -24.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -61.61 -26.53 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.12 59.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.39 -171.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.08 142.05 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 58.22 89.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -152.28 138.72 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.33 133.72 45.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.41 -28.91 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -68.18 -30.02 69.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.94 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -109.25 32.91 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -28.7 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -148.88 26.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 tpp -76.72 132.26 39.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.07 137.52 56.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.75 -33.55 49.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -26.94 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.23 -34.82 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mp -53.1 -60.3 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.2 -26.6 68.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.2 133.63 55.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.88 -171.18 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -34.49 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.36 -49.6 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.09 -35.38 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -80.83 -26.88 36.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.1 -28.94 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -74.05 -27.16 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 -43.82 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -138.78 172.39 12.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.4 p -70.06 172.83 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -41.56 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -55.85 -36.22 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -84.51 -39.29 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.5 m -54.59 -41.91 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.98 -27.15 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.02 -37.02 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.7 -57.31 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -47.99 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.28 -48.98 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.97 -48.03 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.58 -26.11 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -85.25 -26.69 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -58.66 -37.57 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.94 -26.2 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -28.89 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.76 -33.3 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 p -63.87 -28.78 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.59 -28.55 24.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.76 -26.23 44.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -82.35 -26.76 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.45 -37.1 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.67 -175.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 60.79 97.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.3 p -57.21 179.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.3 m -58.91 120.16 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 p -152.18 -176.4 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -138.42 159.38 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.7 156.96 24.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -140.47 143.07 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 m -152.3 163.28 39.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.2 -178.36 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -97.19 -170.42 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.7 88.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 m -131.72 -175.07 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 39.2 t 60.9 80.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -95.11 77.66 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 174.74 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.67 160.57 47.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.331 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.24 137.68 10.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.31 160.55 35.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -80.48 -27.69 37.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -106.43 50.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -99.0 165.23 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 30.5 p -112.82 179.17 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -26.69 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.95 -45.07 17.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -55.84 -26.48 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' THR . 64.8 t -78.81 -26.37 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -55.65 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.14 -41.04 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.534 ' CH2' HD22 ' A' ' 95' ' ' LEU . 35.1 t90 -57.79 -52.75 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.31 -53.95 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.59 -26.88 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.73 -54.61 5.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.57 -49.71 67.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.0 mt -55.8 -26.02 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.98 -60.0 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.37 -64.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -61.8 -26.33 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m 62.95 58.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.696 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -78.5 -171.4 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -160.08 134.13 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 62.56 81.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -138.64 142.11 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 133.87 48.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 -33.94 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 p -58.09 -28.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.91 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -108.17 29.6 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.82 -33.61 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -161.0 46.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -88.03 140.13 29.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 137.24 56.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.02 40.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -37.84 77.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -35.78 76.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.93 -27.54 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 m -79.49 -41.89 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.04 -27.34 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mmm -60.71 126.45 27.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.51 -176.12 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -31.63 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -76.98 -54.84 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -54.95 -42.09 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.4 m-85 -71.38 -31.95 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.589 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.78 -31.84 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -71.88 -26.65 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.36 -42.67 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -143.02 172.92 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 p -67.9 171.51 6.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.589 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.45 -43.75 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.2 t80 -53.87 -38.56 64.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.696 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.4 m-20 -79.42 -39.01 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.521 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.4 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.26 -27.06 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 90' ' ' TYR . 74.8 t -79.71 -25.36 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 ' CH2' ' A' ' 49' ' ' TRP . 28.4 mt -89.09 -57.88 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -52.01 -42.22 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -62.26 -43.01 99.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.23 -46.63 79.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.97 -25.82 67.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 p -87.13 -26.51 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -66.9 -42.77 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.911 0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -152.65 137.73 11.11 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.617 0.722 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.22 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.76 160.57 34.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -83.41 -27.96 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.67 46.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -95.77 164.57 12.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.3 p -112.43 -173.22 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -75.19 -27.88 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.72 -32.58 35.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -69.65 -27.21 64.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 42' ' ' THR . 78.8 t -79.62 -27.47 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -54.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -52.13 -49.24 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -52.04 -45.64 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 67' ' ' PHE . 2.9 tp -64.73 -54.87 24.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -55.37 -31.27 61.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -76.4 -49.22 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.29 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.25 -25.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -55.38 -64.55 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.4 -26.37 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m 63.22 57.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -75.33 176.51 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.9 mtm -144.26 133.27 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 58.25 94.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -150.12 136.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.54 133.86 54.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -34.7 5.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.5 p -56.74 -26.8 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -26.73 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.438 ' HB2' HD22 ' A' ' 50' ' ' LEU . 29.8 m-85 -112.1 26.81 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -87.35 -31.74 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -155.65 46.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ttp -100.45 134.21 43.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.6 137.66 56.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.72 -37.64 51.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -58.72 -26.19 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.03 -32.38 30.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.05 -50.09 74.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.9 p -70.77 -29.55 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -66.99 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmm -60.87 143.77 54.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -114.65 -175.04 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -55.81 -30.12 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.85 -53.28 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.2 -40.68 67.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -72.92 -30.87 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.16 -28.76 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.69 -43.12 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -139.28 173.06 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.0 p -69.11 177.63 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.75 -42.23 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -56.14 -34.66 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.467 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.8 m-20 -80.83 -42.99 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -55.46 -36.33 66.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.45 -26.99 65.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.7 t -82.91 -26.43 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.79 -57.92 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.03 -47.46 71.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.4 t -54.96 -42.59 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -65.82 -49.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.95 -26.11 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 t -89.33 -26.59 21.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.805 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -75.25 -26.52 58.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 34' ' ' VAL . 87.9 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.857 0.36 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.9 137.72 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.86 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.87 160.52 60.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.27 37.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.7 p -81.15 -29.62 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.13 46.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -94.3 166.11 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -110.21 -172.75 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.86 -26.0 56.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -42.25 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -55.9 -26.52 47.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 42' ' ' THR . 88.8 t -81.22 -25.98 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -55.4 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.49 -49.94 66.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -52.86 -43.8 66.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.529 HD23 HG22 ' A' ' 64' ' ' THR . 11.6 tp -61.09 -57.53 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.58 -27.46 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -74.23 -49.75 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.06 -25.26 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -62.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.25 -64.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -62.96 -26.35 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 63.19 57.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.708 HD22 ' OD1' ' A' ' 91' ' ' ASN . 26.0 mt -74.34 -177.17 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 132.49 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 57.84 92.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.8 tt -150.46 139.22 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.45 133.74 51.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.529 HG22 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -115.6 -28.59 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -29.36 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -27.6 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.87 28.15 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -134.55 28.73 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.09 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.91 137.43 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.88 43.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.44 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.11 -34.74 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.03 -57.41 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 31.7 p -65.87 -26.6 67.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.41 151.41 47.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.24 -176.87 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -31.9 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.06 -51.05 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.74 -39.61 81.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.613 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.6 m-85 -73.31 -32.84 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.678 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -58.45 -30.07 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -74.73 -26.45 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.02 17.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -150.6 173.65 13.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.1 p -68.2 172.06 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.678 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.44 -44.03 92.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 94' ' ' VAL . 64.3 t80 -54.51 -37.7 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.708 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -82.16 -36.8 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.2 m -57.63 -38.91 75.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.36 -30.5 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 90' ' ' TYR . 58.3 t -72.62 -25.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.3 mt -88.63 -57.92 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -50.27 61.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.2 t -52.72 -53.05 53.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.44 -48.99 77.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.79 -26.12 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -85.54 -26.73 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.17 -40.44 89.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.5 137.75 10.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.694 0.759 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.242 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.32 160.71 49.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.99 29.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.3 p -82.44 -32.6 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.64 42.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -94.62 155.97 16.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -115.18 167.72 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -30.92 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.02 -32.08 71.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.435 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.4 m80 -83.04 -42.94 16.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' THR . 46.6 t -56.57 -27.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.47 -54.84 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.2 -48.57 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.17 -45.79 65.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.87 -58.73 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.41 -30.37 39.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -74.59 -51.5 14.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.39 -51.22 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.03 -25.29 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -84.14 -63.29 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.87 -64.28 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -61.55 -26.11 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m 63.1 60.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.23 -170.4 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptp -158.22 134.09 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 61.69 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.12 137.79 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.36 133.74 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.47 -28.18 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -32.1 58.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -30.64 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -100.99 26.3 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -79.06 -33.23 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -161.08 44.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 ttp -90.78 133.69 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -65.66 138.08 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.12 -28.58 42.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.42 95.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HB3' HD21 ' A' ' 99' ' ' LEU . 4.9 mp -52.26 -33.9 43.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.1 m -76.67 -41.21 46.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -59.04 -28.77 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmm -69.99 131.76 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -111.36 -171.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.68 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -80.34 -53.48 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -56.45 -33.92 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.56 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.2 m-85 -79.9 -28.64 39.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.611 HD21 HD23 ' A' ' 89' ' ' LEU . 4.9 mt -62.46 -26.88 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -74.66 -27.88 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.35 -43.11 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -140.91 172.4 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -70.6 166.54 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.611 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -60.62 -40.82 93.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.99 -30.02 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.25 -37.36 12.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 83' ' ' PHE . 88.9 m -52.64 -42.01 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.62 -29.16 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -74.28 -27.06 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.81 -55.36 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -52.67 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -55.29 -34.72 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -71.39 -39.12 71.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.7 mp -72.86 -27.95 62.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -88.28 -27.61 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -64.17 -42.83 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.862 0.363 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.8 137.74 10.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -72.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.13 160.6 38.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.45 36.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.7 p -82.87 -26.56 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -106.65 48.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -97.0 159.71 14.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -112.04 172.34 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -61.87 -27.15 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -78.47 -29.59 46.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -77.97 -26.05 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 75' ' ' LEU . 92.3 t -83.94 -25.98 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -90.31 -31.6 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.29 -50.96 11.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.443 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 46.3 t90 -52.47 -39.76 61.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.64 -68.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -35.71 53.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.88 -56.02 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.48 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.02 -25.24 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -62.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -54.48 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -61.69 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 t 63.21 57.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.1 mt -77.86 -170.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.04 144.88 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 59.39 81.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -147.05 141.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.91 133.38 36.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -31.24 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -30.52 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.24 -28.06 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -107.4 26.32 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -73.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -117.07 26.41 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.498 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.4 ttm -61.88 129.44 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.04 137.21 56.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.98 44.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -27.1 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.77 -27.5 61.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -55.84 -57.35 12.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.51 -26.57 67.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -69.5 -37.06 77.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmm -57.34 134.03 55.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -105.55 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.506 ' CE ' HD11 ' A' ' 89' ' ' LEU . 2.9 tptt -55.3 -28.91 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.45 -56.35 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.83 -35.97 58.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.9 m-85 -77.86 -35.17 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 89' ' ' LEU . 4.8 mt -56.68 -31.44 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -26.28 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.03 -40.19 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -146.27 172.39 13.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 p -70.8 159.11 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -53.87 -40.57 66.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -54.4 -30.46 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 59' ' ' LEU . 44.6 m-20 -91.51 -37.53 13.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.417 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.8 m -55.58 -32.66 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.99 -26.58 59.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.87 -28.05 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.38 -59.63 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.37 -48.44 65.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -54.11 -48.41 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -61.74 -45.36 94.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.561 HD21 HD23 ' A' ' 75' ' ' LEU . 1.3 mp -63.65 -26.59 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.9 t -87.29 -26.69 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.49 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.898 0.38 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.7 137.72 11.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.3 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.15 160.57 35.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.15 37.8 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -78.26 -32.01 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.48 49.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -99.63 160.88 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.59 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.4 t -118.81 168.45 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -55.73 -26.38 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 42' ' ' THR . 0.6 OUTLIER -75.54 -27.93 58.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.59 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.6 m80 -87.39 -28.74 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 42' ' ' THR . 41.6 t -71.98 -30.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -89.72 -47.92 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -57.94 -49.01 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -52.32 -55.96 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 67' ' ' PHE . 7.8 tp -55.11 -56.78 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.4 -31.5 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -76.6 -44.65 33.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.93 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.67 -29.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.85 -65.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -61.8 -26.32 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t 63.04 52.63 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.714 HD22 ' OD1' ' A' ' 91' ' ' ASN . 27.1 mt -68.69 -170.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -154.13 123.83 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 62.3 93.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -145.54 137.22 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 133.64 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -35.27 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -55.84 -27.59 52.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -26.56 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 50' ' ' LEU . 27.6 m-85 -110.84 26.35 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.46 -32.08 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.9 55.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.79 139.25 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.76 137.38 57.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.24 -26.76 29.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -31.72 70.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.92 -37.86 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.18 -31.05 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 m -76.1 -42.19 47.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.42 -30.53 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtp -62.4 112.4 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -171.91 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -31.67 44.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.24 -53.96 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -52.39 -44.9 65.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.3 m-85 -70.63 -34.09 71.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 89' ' ' LEU . 3.6 mt -57.57 -26.78 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -74.34 -32.75 62.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.84 -42.64 17.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -142.09 173.46 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -70.78 171.96 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.34 -41.29 96.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -56.64 -30.92 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.714 ' OD1' HD22 ' A' ' 59' ' ' LEU . 32.0 m-20 -89.35 -37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.486 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.5 m -58.24 -33.32 69.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.93 -27.91 62.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.87 -25.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -86.68 -58.22 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.7 tp -52.7 -52.85 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 t -54.33 -35.16 62.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.69 -49.85 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -26.76 68.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.9 t -85.77 -28.1 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.67 -38.43 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.867 0.365 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -155.03 137.73 10.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.177 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -74.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -117.68 160.6 37.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -78.59 -32.41 47.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.87 52.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -102.06 164.92 11.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.572 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -123.87 168.55 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -56.19 -25.89 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 42' ' ' THR . 0.9 OUTLIER -76.6 -26.14 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.572 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.3 m80 -88.94 -28.05 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 42' ' ' THR . 43.5 t -76.38 -27.62 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -90.2 -49.42 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.4 -49.28 77.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -52.86 -50.48 63.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.7 -55.88 29.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -52.66 -47.99 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.56 -46.18 91.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.56 -54.15 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.77 -25.77 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.34 -60.85 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -61.96 -26.31 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t 63.16 59.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' OD1' ' A' ' 91' ' ' ASN . 16.7 mt -85.86 -175.85 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -160.61 157.46 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 54.27 64.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 tt -130.77 150.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.15 133.98 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -28.04 68.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.91 30.86 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.33 -74.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.93 33.0 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.32 133.64 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.61 138.11 57.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.74 -34.43 44.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -28.34 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -36.82 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.15 -26.57 39.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.55 -47.94 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -57.53 -27.97 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -65.47 128.64 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -103.22 -173.72 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HE2' HD11 ' A' ' 89' ' ' LEU . 1.2 tptt -61.79 -33.41 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 mt-10 -72.41 -41.27 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.02 -51.56 63.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CB ' HG23 ' A' ' 92' ' ' THR . 10.7 m-85 -60.36 -31.74 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 89' ' ' LEU . 6.6 mt -60.27 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.46 -30.48 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.69 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -161.05 171.89 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.7 p -68.88 160.05 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.9 tp -54.81 -40.42 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 94' ' ' VAL . 47.4 t80 -52.72 -33.92 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.489 ' OD1' HD22 ' A' ' 59' ' ' LEU . 53.2 m-20 -87.87 -35.26 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.498 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.6 m -62.0 -42.51 99.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.52 -31.0 72.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 90' ' ' TYR . 68.9 t -78.87 -42.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.88 -59.12 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.61 -44.32 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.5 t -52.77 -61.34 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.08 -27.37 53.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.73 62.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.23 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.09 -32.86 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 34' ' ' VAL . 67.5 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.0 137.73 10.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.35 -70.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.87 160.63 43.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -15.23 36.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -77.64 -33.56 53.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.24 53.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -102.34 158.46 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.9 t -116.93 168.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -56.02 -30.73 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' H ' HG23 ' A' ' 42' ' ' THR . 8.1 tp10 -72.57 -26.89 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 42' ' ' THR . 19.1 m80 -86.07 -26.34 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.431 HG12 ' HB3' ' A' ' 67' ' ' PHE . 73.2 t -76.17 -25.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -56.92 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.42 -46.78 66.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -52.2 -47.13 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 64' ' ' THR . 11.3 tp -52.17 -49.78 63.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.53 -26.52 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -71.8 -60.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.82 -51.59 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CD1' HG21 ' A' ' 62' ' ' ILE . 62.9 mt -57.52 -25.37 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -64.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.26 -63.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -62.46 -26.32 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.02 63.35 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.7 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.2 mt -86.49 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptp -155.73 140.72 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 58.64 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 54' ' ' ILE . 9.3 tt -154.25 143.06 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 142.43 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.485 HG22 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -118.15 -28.98 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -27.76 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' HB3' HG12 ' A' ' 46' ' ' VAL . 16.5 m-85 -106.22 27.28 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -73.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -125.13 38.2 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 tpp -72.58 135.79 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.45 137.37 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.86 -43.12 60.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -63.07 -27.05 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp -52.09 -34.24 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.12 -51.67 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -56.99 -26.02 59.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -53.63 124.72 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -94.41 -170.52 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -61.39 -60.17 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.8 pt-20 -51.9 -37.8 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -32.01 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -94.09 -34.47 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD21 HD23 ' A' ' 89' ' ' LEU . 7.5 mt -56.08 -25.58 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -75.88 -26.26 56.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.72 -46.95 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.431 HG21 ' HB3' ' A' ' 91' ' ' ASN . 14.5 t -136.04 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -73.18 -179.44 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.77 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -68.47 -43.61 76.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.515 ' O ' HG23 ' A' ' 94' ' ' VAL . 54.8 t80 -52.05 -30.03 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.7 ' OD1' HD22 ' A' ' 59' ' ' LEU . 27.3 m-20 -93.54 -37.85 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.6 m -52.14 -47.29 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.3 -26.38 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 90' ' ' TYR . 91.7 t -74.99 -27.1 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.47 -57.58 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -61.13 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t -52.07 -52.91 48.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.76 -42.6 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -66.14 -25.88 67.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.5 p -86.31 -26.74 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.79 -37.27 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.959 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.22 137.69 10.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.87 160.65 36.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -14.7 36.2 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -79.22 -30.82 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.13 53.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -102.33 165.8 10.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.575 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.2 t -124.71 168.57 13.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.92 -26.38 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.98 -26.85 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.7 m80 -88.67 -27.62 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 70' ' ' MET . 60.4 t -74.39 -28.53 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -50.01 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -56.89 -48.63 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -52.82 -46.04 67.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD23 HG22 ' A' ' 64' ' ' THR . 5.1 tp -60.6 -51.39 69.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.84 -26.8 66.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -80.17 -41.82 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.42 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.95 -25.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -62.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -63.49 -26.32 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m 62.98 59.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.2 mt -78.5 -170.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.1 ptp -156.39 137.56 13.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.97 94.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -156.34 138.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.73 137.44 42.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 HD23 ' A' ' 50' ' ' LEU . 1.5 p -108.71 -33.09 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -26.77 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -26.99 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' HB2' HD22 ' A' ' 50' ' ' LEU . 26.9 m-85 -113.46 26.4 10.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -84.21 -32.15 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.75 35.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.0 ttp -86.62 131.0 34.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -65.64 138.08 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.14 -30.36 38.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.83 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.38 -34.69 58.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.25 -27.22 54.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.24 -49.57 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -57.66 -26.87 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 mmm -60.72 126.6 28.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -109.53 -176.05 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.1 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.67 -50.79 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.03 -45.43 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.587 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.1 m-85 -69.43 -27.86 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 89' ' ' LEU . 4.6 mt -63.0 -27.49 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -77.32 -27.21 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.4 -32.19 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -153.98 172.62 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 p -68.48 171.44 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.08 -40.94 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.6 t80 -56.24 -37.08 69.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.541 ' OD1' HD22 ' A' ' 59' ' ' LEU . 83.0 m-20 -82.86 -36.98 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.0 m -56.87 -39.44 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.68 -28.9 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' TYR . 72.9 t -77.08 -26.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.77 -55.63 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.4 tp -54.59 -52.72 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.5 t -52.94 -40.42 63.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -65.55 -44.99 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.12 -26.01 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -26.61 25.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.75 -42.13 96.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 tt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.68 10.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.388 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.97 160.62 31.6 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -16.32 37.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 p -98.25 24.91 6.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -150.75 28.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -78.93 170.86 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.8 p -116.47 -173.57 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.5 -26.76 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.7 -44.65 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -56.19 -26.04 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 75' ' ' LEU . 61.0 t -78.06 -28.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -52.98 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.48 -49.15 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -54.71 -44.91 73.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.8 -58.91 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.96 -38.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -68.73 -46.67 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.47 57.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.62 -26.05 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -61.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.27 -62.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -61.99 -26.39 68.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t 62.86 56.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.689 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.1 mt -78.02 -176.61 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.03 140.11 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 60.32 82.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.23 139.68 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.83 133.78 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -27.84 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.46 -31.41 71.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.97 28.67 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.49 -68.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 27.77 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.1 ttm -63.23 134.11 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.04 137.67 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.35 -44.36 58.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -64.12 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.62 -30.15 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.749 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -53.8 -56.28 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.56 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.09 130.47 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -96.17 -176.93 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.11 69.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.4 mt-10 -69.99 -37.07 75.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.87 -51.67 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.541 ' CB ' HG23 ' A' ' 92' ' ' THR . 12.3 m-85 -62.49 -26.54 68.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.737 HD21 HD23 ' A' ' 89' ' ' LEU . 6.2 mt -61.65 -32.06 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.26 -42.07 12.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -143.75 173.72 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -69.9 169.08 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.737 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -62.97 -38.95 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.95 -32.59 67.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.689 ' OD1' HD22 ' A' ' 59' ' ' LEU . 25.1 m-20 -87.34 -40.52 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.541 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.4 m -53.85 -39.0 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.59 -26.67 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.66 -25.38 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 mt -85.7 -59.86 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -47.35 65.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 t -52.74 -56.95 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.84 -32.9 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.749 HD21 HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -72.58 -26.6 61.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.4 t -88.1 -30.58 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -53.9 -29.65 42.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.964 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.861 0.362 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.32 137.74 10.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.87 160.56 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.16 34.27 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 p -82.81 -25.63 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.25 50.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -102.33 160.15 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -121.91 170.11 10.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -54.71 -28.08 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' THR . 2.0 tt0 -73.56 -30.19 62.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' ND1' HG22 ' A' ' 42' ' ' THR . 29.8 m80 -86.71 -26.96 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 42' ' ' THR . 59.4 t -73.6 -28.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.35 -55.2 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -52.37 -49.16 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.27 -47.02 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.7 -52.5 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.36 -26.76 53.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -74.34 -51.12 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 57' ' ' TYR . . . -60.08 -47.94 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.48 -25.16 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -89.64 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.512 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 19.2 m-85 -63.34 -26.57 68.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t 63.06 57.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' OD1' ' A' ' 91' ' ' ASN . 18.6 mt -73.07 -170.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.07 131.67 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 59.08 94.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.5 tt -146.8 140.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.4 133.44 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -36.05 6.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 p -57.35 -26.89 61.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -26.4 63.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' HB3' HG12 ' A' ' 46' ' ' VAL . 27.4 m-85 -114.72 26.51 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.13 -31.11 25.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -155.48 41.11 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 46' ' ' VAL . 1.1 ttp -89.75 134.27 34.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.37 136.32 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.67 -30.93 36.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -39.26 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.32 -36.26 83.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HB3' HD21 ' A' ' 99' ' ' LEU . 3.0 mp -53.2 -28.77 28.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 m -82.33 -48.4 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -57.5 -26.93 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -68.56 130.27 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -110.61 -175.0 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -30.18 28.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -63.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.523 ' HB3' HG23 ' A' ' 92' ' ' THR . 4.1 m-85 -79.61 -32.74 41.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.25 -28.45 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -75.23 -26.23 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.07 -36.89 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.03 173.49 12.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.7 p -68.46 177.17 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -67.48 -43.91 79.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -52.25 -48.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.672 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -69.66 -44.0 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 83' ' ' PHE . 93.6 m -54.29 -33.66 59.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.45 -28.82 66.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.3 t -82.64 -43.02 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.66 -57.94 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -52.31 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 t -52.17 -55.3 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -52.34 -50.9 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.8 mp -58.37 -26.09 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 m -86.47 -26.57 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.93 -37.28 86.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.86 0.362 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.01 137.71 10.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 -48.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.34 160.55 45.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -16.64 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.86 56.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -102.98 165.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.641 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.03 167.1 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.01 -28.18 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -74.52 -28.14 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.641 ' ND1' HG22 ' A' ' 42' ' ' THR . 24.1 m80 -86.8 -28.22 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 59.3 t -73.31 -28.29 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.48 -51.75 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.08 -48.01 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 44.1 t90 -53.83 -46.9 71.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.28 -59.21 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.95 -32.39 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -73.09 -48.55 34.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.23 -25.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.92 -65.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -62.24 -26.54 68.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t 63.14 54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.4 mt -71.69 -171.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -157.76 134.59 9.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 63.18 85.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -146.74 139.79 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 134.18 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.74 -30.12 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -26.69 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -27.98 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -109.36 32.07 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.14 -28.01 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -152.0 26.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 tpp -76.57 135.12 39.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.4 137.59 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.89 -33.97 44.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.04 -27.22 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.34 -35.28 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.4 HD23 HD21 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.5 -48.2 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.15 -27.85 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -71.64 -33.07 68.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.6 mtp -52.49 117.12 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -90.35 -170.92 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -33.12 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -76.79 -43.02 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -56.13 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.438 ' CB ' HG23 ' A' ' 92' ' ' THR . 6.4 m-85 -58.7 -32.7 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 89' ' ' LEU . 6.1 mt -58.25 -31.0 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -73.61 -28.18 61.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.08 -38.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.97 173.06 13.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -70.06 168.74 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.593 HD23 HD21 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -61.56 -41.32 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -52.92 -42.56 65.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.513 ' OD1' HD22 ' A' ' 59' ' ' LEU . 89.9 m-20 -79.46 -39.6 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' CB ' ' A' ' 83' ' ' PHE . 89.8 m -52.3 -38.96 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.59 -30.41 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.6 -27.7 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.02 -54.12 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.28 -41.34 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.6 t -60.86 -39.59 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -69.37 -44.76 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.458 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 2.2 mp -68.3 -26.36 65.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 m -87.24 -28.32 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.84 -32.05 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.73 10.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.153 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.21 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 160.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.55 37.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -75.83 -36.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -101.51 53.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -101.09 166.73 10.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.631 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.18 168.57 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -56.75 -27.34 59.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.34 -27.92 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.631 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.3 m80 -86.68 -27.0 24.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 42' ' ' THR . 55.9 t -74.73 -29.26 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -90.26 -50.0 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -55.85 -49.24 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.05 -49.04 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.61 -49.18 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.88 -26.72 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -77.71 -58.16 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -53.15 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.0 mt -55.6 -25.66 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -83.5 -60.08 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -61.3 -26.28 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m 63.0 55.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.7 mt -80.68 -171.99 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -163.33 147.94 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 63.22 67.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 tt -132.78 146.13 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 136.46 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 -34.18 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -60.99 -26.69 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -27.42 62.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -112.09 26.65 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.07 -27.85 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -158.06 49.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -102.09 142.86 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.27 137.46 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.8 49.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -66.35 -29.28 69.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.95 -34.48 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -53.06 -43.68 66.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.52 -42.72 67.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.78 -32.91 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.05 126.99 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -103.42 -173.54 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.06 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.28 -51.76 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.65 -40.86 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.4 m-85 -75.76 -28.9 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 89' ' ' LEU . 4.3 mt -61.92 -26.3 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -75.37 -26.38 58.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.42 -41.44 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -139.36 173.13 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.0 p -71.24 172.55 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -66.76 -40.63 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 94' ' ' VAL . 44.8 t80 -57.51 -34.97 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 59' ' ' LEU . 68.7 m-20 -84.12 -41.08 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.4 m -54.32 -36.63 63.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.43 -27.08 63.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 90' ' ' TYR . 55.9 t -80.12 -38.18 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.79 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.52 -50.55 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -54.9 -46.34 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.71 -51.43 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.7 -26.0 42.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -89.64 -26.59 20.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.0 -27.2 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.64 137.73 11.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.24 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.91 160.59 38.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.99 37.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 p -81.62 -25.84 35.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.69 49.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -97.93 163.01 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 46' ' ' VAL . 38.3 p -108.26 -173.14 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.37 -29.71 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.85 -41.33 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -58.14 -27.09 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 42' ' ' THR . 60.1 t -79.04 -25.74 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -52.48 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -53.22 -47.48 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CH2' HD13 ' A' ' 99' ' ' LEU . 33.9 t90 -52.09 -54.77 26.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.1 tp -54.47 -49.28 70.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.21 -26.85 66.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -80.69 -46.7 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.51 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.57 -25.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -62.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.27 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -61.47 -26.34 67.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 t 62.66 54.41 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -176.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.63 130.28 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 63.05 97.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.6 tt -154.48 137.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.74 133.39 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -33.76 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -26.8 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -26.81 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' HB2' HD22 ' A' ' 50' ' ' LEU . 32.2 m-85 -111.83 27.42 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -88.95 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -155.35 56.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.6 ttp -110.55 141.44 43.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 137.62 54.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -42.07 55.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -33.8 72.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -39.31 93.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.82 -31.17 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.7 m -75.88 -42.07 50.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.93 -28.34 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.4 mtp -62.53 113.43 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -91.68 179.18 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -30.75 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.09 -51.44 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -53.18 -45.13 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.1 m-85 -68.2 -36.13 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 89' ' ' LEU . 9.1 mt -60.15 -29.73 68.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -73.46 -26.22 60.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.59 -42.77 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -141.5 173.27 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -71.83 161.74 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.2 tp -57.85 -40.36 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -52.39 -34.94 50.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.87 -41.21 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.459 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -57.0 -42.72 80.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.52 -30.11 71.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.03 -25.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 92' ' ' THR . 10.8 mt -84.9 -59.9 2.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.27 -45.08 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -59.23 -48.03 83.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -59.03 -53.21 60.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.45 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.3 mp -56.87 -26.2 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -86.92 -26.72 23.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.24 -36.8 85.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.11 137.67 10.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.47 160.6 45.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -78.46 -31.71 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -104.63 52.39 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -101.33 163.21 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.551 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.2 t -122.27 169.63 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.13 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' H ' HG23 ' A' ' 42' ' ' THR . 2.4 tt0 -75.43 -26.78 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.551 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.6 m80 -88.97 -26.37 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' THR . 61.9 t -76.48 -29.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttp85 -89.59 -47.74 7.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -59.11 -49.66 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -52.3 -49.93 63.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -51.41 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.36 -29.92 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -77.64 -53.43 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.93 -51.45 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.4 -25.47 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -63.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.16 73.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.665 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.6 mt -98.91 137.37 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -114.29 -15.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -118.67 68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.2 tt -145.07 143.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.67 135.06 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -28.04 11.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -34.27 77.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.24 -28.44 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -107.25 31.01 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -69.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.7 56.3 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 tpp -95.62 144.1 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.36 137.68 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -37.73 47.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -28.65 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.49 -36.58 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.2 mp -52.72 -53.42 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.4 p -69.36 -26.98 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.38 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.95 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -108.74 -178.45 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 89' ' ' LEU . 21.9 tttt -52.03 -33.93 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -73.18 -52.79 12.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -54.89 -38.81 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CB ' HG23 ' A' ' 92' ' ' THR . 9.2 m-85 -74.98 -31.49 61.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -60.89 -27.85 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -73.95 -31.06 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.42 -40.72 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -144.58 173.49 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.3 p -69.73 173.28 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -64.91 -43.43 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.555 ' O ' HG23 ' A' ' 94' ' ' VAL . 75.0 t80 -53.22 -31.93 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.665 ' OD1' HD22 ' A' ' 59' ' ' LEU . 36.7 m-20 -90.02 -39.66 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -52.64 -39.42 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.7 -26.71 61.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 90' ' ' TYR . 85.4 t -77.71 -25.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.03 -57.86 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -50.69 63.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.7 t -53.86 -41.02 67.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -65.68 -43.63 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.5 mp -68.19 -26.01 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -26.82 22.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -67.71 -34.36 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.875 0.369 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.61 137.68 10.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.645 0.736 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 160.59 37.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.14 37.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.1 p -78.01 -34.82 50.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.41 50.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -99.72 162.38 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.614 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.9 t -120.48 169.48 10.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.54 -26.94 56.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' H ' HG23 ' A' ' 42' ' ' THR . 5.5 tt0 -75.63 -26.22 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.614 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.4 m80 -89.59 -27.27 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' THR . 61.8 t -74.34 -29.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -89.25 -49.5 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.44 -49.54 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CH2' HD22 ' A' ' 95' ' ' LEU . 43.6 t90 -52.05 -45.26 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.3 tp -62.09 -53.49 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.54 -33.77 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.38 -44.5 58.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.87 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.99 -26.02 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.95 -64.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -52.51 -64.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -61.42 -26.39 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t 63.08 61.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.34 -170.25 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.4 ptp -157.86 137.02 11.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.57 93.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -151.04 136.81 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.66 133.53 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 -35.65 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -26.74 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -27.06 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' HB2' HD22 ' A' ' 50' ' ' LEU . 30.7 m-85 -113.06 26.42 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -85.53 -31.49 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -157.83 43.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 ttp -91.32 140.5 29.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.69 136.19 55.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.49 -30.81 34.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -33.73 75.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.22 -37.76 84.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 99' ' ' LEU . 2.2 mp -55.64 -65.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.2 p -56.67 -24.78 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -78.59 -25.86 45.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.5 mmm -69.15 125.68 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -99.41 -172.42 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' CE ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -56.78 -39.12 73.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.41 -53.53 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.11 -29.9 67.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.8 m-85 -82.74 -28.17 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD21 HD23 ' A' ' 89' ' ' LEU . 5.4 mt -62.98 -26.41 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -75.53 -27.94 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.7 -40.77 13.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -144.37 173.46 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 p -70.22 171.33 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.618 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.37 -40.95 94.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.11 -29.51 65.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.71 -35.89 14.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.562 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.8 m -57.07 -44.7 83.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -62.72 -29.25 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.77 -25.83 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.409 HD22 ' CH2' ' A' ' 49' ' ' TRP . 83.7 mt -85.96 -59.22 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -54.16 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -52.17 -31.92 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -75.07 -46.86 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 102' ' ' LEU . 1.5 mp -66.6 -26.31 67.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.7 t -88.28 -26.82 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -70.26 -41.96 72.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 99' ' ' LEU . 3.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.3 tt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.53 137.74 10.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.4 -72.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 160.61 38.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -15.04 36.92 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 p -78.09 -37.19 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 mt -96.69 43.91 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -94.69 155.18 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.5 p -102.61 -174.71 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -74.06 -28.75 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.21 -39.47 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -56.63 -27.35 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 42' ' ' THR . 45.4 t -78.12 -26.81 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -78.14 -49.83 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -52.85 -39.55 62.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 95' ' ' LEU . 72.0 t90 -73.78 -26.06 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 67' ' ' PHE . 0.8 OUTLIER -77.95 -54.38 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.16 -28.49 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -75.83 -57.53 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.5 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.87 -25.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.07 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -61.22 -26.31 67.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m 63.14 54.75 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.9 mt -75.1 -170.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -172.04 152.16 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.23 47.41 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -118.52 143.61 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.52 133.39 38.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -30.46 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -61.46 -32.87 72.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -27.43 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 50' ' ' LEU . 27.2 m-85 -113.69 26.6 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -71.98 -33.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -161.12 37.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -79.81 135.16 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.71 137.26 57.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.55 35.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -59.72 -33.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.59 -37.39 56.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -57.41 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -63.99 -23.68 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -27.5 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.6 mtp -61.21 114.68 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -94.0 -171.62 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -30.78 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.31 -53.62 7.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.41 -42.96 74.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.0 m-85 -71.45 -31.2 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -62.6 -26.68 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -78.29 -27.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.96 -36.25 15.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -147.57 173.11 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 p -70.52 170.76 11.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.61 -39.19 91.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.959 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.0 -36.73 65.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.446 ' OD1' HD22 ' A' ' 59' ' ' LEU . 91.2 m-20 -85.31 -38.71 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 83' ' ' PHE . 85.3 m -52.65 -42.35 64.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.79 -26.89 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.4 -25.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' CH2' ' A' ' 49' ' ' TRP . 42.8 mt -84.83 -55.99 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 tp -56.22 -51.72 67.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 t -53.48 -35.37 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -72.15 -56.5 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.59 -26.03 41.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -88.48 -26.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -70.96 -27.64 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.96 137.72 10.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.04 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 160.48 26.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -18.72 37.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 p -95.5 30.53 2.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -149.41 25.9 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -81.47 150.71 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -88.18 -173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -25.94 66.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.49 -47.81 9.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -52.02 -54.17 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 85.6 t -51.95 -30.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -81.21 -40.76 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -65.89 -47.85 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -52.21 -38.06 56.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.57 -59.97 3.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.46 -34.66 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.25 -52.24 59.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -53.07 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.25 -26.79 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.34 -26.31 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.14 57.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.7 mt -81.51 -177.1 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.45 133.74 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.48 97.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.1 tt -154.13 143.84 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.524 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -65.57 138.64 58.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -27.96 51.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -107.62 26.46 10.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -71.7 -28.84 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.89 74.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.428 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.2 ttp -125.45 144.94 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.15 136.57 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.02 -27.23 37.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -29.88 69.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.42 -33.71 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mp -54.52 -65.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.461 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -56.69 -24.76 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -78.55 -25.83 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mtm -64.2 134.01 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -87.24 -170.19 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -60.96 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.2 pt-20 -51.68 -37.7 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.38 -33.42 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 -32.12 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.763 HD21 HD23 ' A' ' 89' ' ' LEU . 7.0 mt -59.09 -25.1 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.79 -36.41 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' ASP . . . -81.76 -47.79 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -131.96 174.37 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.7 p -78.54 -177.29 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.763 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.02 -42.76 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 56.1 t80 -51.96 -30.15 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.596 ' OD1' HD22 ' A' ' 59' ' ' LEU . 7.6 m-20 -93.51 -38.41 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.8 m -52.06 -41.1 62.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.22 -26.2 61.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' TYR . 93.8 t -78.26 -30.92 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.39 -55.1 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 tp -51.99 -30.22 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -71.36 -57.34 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.518 ' HE1' HD21 ' A' ' 102' ' ' LEU . 49.8 t-80 -52.13 -31.06 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' CYS . 1.2 mp -62.33 -35.12 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 t -88.23 -26.83 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.518 HD21 ' HE1' ' A' ' 98' ' ' HIS . 3.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.85 137.72 10.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.34 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.7 160.6 37.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.11 37.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 p -78.76 -32.77 46.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -101.07 50.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -100.4 160.94 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.598 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -119.85 167.79 11.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -55.74 -27.38 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 42' ' ' THR . 0.8 OUTLIER -75.65 -26.99 58.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.598 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.0 m80 -86.72 -26.03 24.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 42' ' ' THR . 45.0 t -79.69 -28.85 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.21 -31.97 17.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.56 -47.75 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 99' ' ' LEU . 47.2 t90 -53.36 -40.09 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.11 -59.93 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.99 -26.54 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -75.85 -58.15 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.39 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.27 -26.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.34 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -61.61 -26.27 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.17 63.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.0 mt -88.21 -170.16 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -162.36 140.54 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 61.96 82.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -146.37 143.15 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.26 135.04 54.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 -36.19 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -67.36 -28.41 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -26.57 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -110.4 26.41 10.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -77.11 -31.66 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -154.15 67.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 tpp -116.74 144.61 44.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.73 136.42 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.18 -30.87 40.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.23 -32.5 64.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -35.27 80.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.469 HD11 HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -51.98 -56.8 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -23.56 67.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.79 -28.47 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.7 mtp -58.62 112.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.71 -170.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -64.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.0 pt-20 -52.0 -36.92 51.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.64 -32.39 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -93.89 -33.77 13.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 89' ' ' LEU . 8.5 mt -56.43 -25.68 51.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 -25.91 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.2 -46.11 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -135.96 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -77.36 -178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -68.61 -42.79 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 94' ' ' VAL . 68.6 t80 -52.1 -30.44 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.639 ' OD1' HD22 ' A' ' 59' ' ' LEU . 8.2 m-20 -93.51 -38.05 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -51.82 -41.76 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.65 -26.63 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 90' ' ' TYR . 94.1 t -78.11 -28.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.57 -55.4 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.4 tp -52.66 -57.59 9.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -52.11 -52.02 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -52.38 -46.55 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.1 mp -62.23 -26.03 68.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -26.67 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.34 -40.59 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.832 0.349 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.95 137.71 11.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.16 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.28 160.52 47.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.72 37.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -82.84 -26.13 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.55 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -97.16 166.25 11.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 46' ' ' VAL . 34.1 p -113.2 -178.99 3.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.36 -26.87 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.31 18.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -56.58 -26.43 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 42' ' ' THR . 68.0 t -81.64 -25.42 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -54.09 -49.3 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -54.31 -41.46 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 HG22 ' A' ' 64' ' ' THR . 9.0 tp -60.92 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -30.55 43.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -70.08 -50.79 37.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.42 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.4 -24.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -61.61 -26.53 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.12 59.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.39 -171.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.08 142.05 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 58.22 89.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -152.28 138.72 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.33 133.72 45.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.472 HG22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -108.41 -28.91 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -68.18 -30.02 69.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.94 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -109.25 32.91 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -28.7 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -148.88 26.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 tpp -76.72 132.26 39.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.07 137.52 56.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.75 -33.55 49.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -26.94 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.23 -34.82 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.5 mp -53.1 -60.3 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.2 -26.6 68.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.2 133.63 55.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.88 -171.18 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -34.49 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.36 -49.6 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.09 -35.38 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CB ' HG23 ' A' ' 92' ' ' THR . 8.2 m-85 -80.83 -26.88 36.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.742 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.1 -28.94 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -74.05 -27.16 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 -43.82 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -138.78 172.39 12.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.4 p -70.06 172.83 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.742 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -66.33 -41.56 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -55.85 -36.22 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -84.51 -39.29 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.548 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.5 m -54.59 -41.91 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.98 -27.15 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.02 -37.02 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.7 -57.31 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -47.99 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.28 -48.98 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.97 -48.03 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 75' ' ' LEU . 2.0 mp -63.58 -26.11 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -85.25 -26.69 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -58.66 -37.57 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -159.08 95.49 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.16 154.31 36.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.4 -150.19 5.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -150.0 93.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.46 106.22 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.33 113.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.433 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 ttp -94.4 161.67 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -82.04 -55.07 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 60.68 89.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.62 166.22 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -141.68 159.68 41.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -152.2 174.49 13.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.14 154.51 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -101.41 -27.19 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.67 68.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -104.0 133.5 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -112.1 137.75 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.41 -177.7 51.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.73 23.59 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.8 Cg_endo -69.75 168.61 21.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.5 Cg_endo -69.72 167.75 69.81 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.36 -0.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -70.67 -59.74 2.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.19 142.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 t -58.42 161.42 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.1 -69.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -147.04 161.85 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.38 74.53 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 54.26 58.76 4.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -127.61 115.69 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.18 137.36 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.54 -30.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.24 137.68 10.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.31 160.55 35.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -80.48 -27.69 37.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -106.43 50.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -99.0 165.23 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 30.5 p -112.82 179.17 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -26.69 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.95 -45.07 17.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -55.84 -26.48 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' THR . 64.8 t -78.81 -26.37 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -55.65 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.14 -41.04 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.534 ' CH2' HD22 ' A' ' 95' ' ' LEU . 35.1 t90 -57.79 -52.75 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.31 -53.95 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.59 -26.88 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.73 -54.61 5.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.57 -49.71 67.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.0 mt -55.8 -26.02 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.98 -60.0 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.37 -64.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -61.8 -26.33 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m 62.95 58.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.696 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -78.5 -171.4 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -160.08 134.13 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 62.56 81.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -138.64 142.11 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 133.87 48.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 -33.94 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 p -58.09 -28.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.91 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -108.17 29.6 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.82 -33.61 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -161.0 46.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -88.03 140.13 29.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 137.24 56.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.02 40.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -37.84 77.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -35.78 76.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.93 -27.54 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 m -79.49 -41.89 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.04 -27.34 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mmm -60.71 126.45 27.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.51 -176.12 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -31.63 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -76.98 -54.84 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -54.95 -42.09 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.4 m-85 -71.38 -31.95 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.589 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.78 -31.84 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -71.88 -26.65 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.36 -42.67 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -143.02 172.92 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 p -67.9 171.51 6.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.589 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.45 -43.75 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.2 t80 -53.87 -38.56 64.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.696 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.4 m-20 -79.42 -39.01 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.521 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.4 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.26 -27.06 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 90' ' ' TYR . 74.8 t -79.71 -25.36 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 ' CH2' ' A' ' 49' ' ' TRP . 28.4 mt -89.09 -57.88 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -52.01 -42.22 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -62.26 -43.01 99.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.23 -46.63 79.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.97 -25.82 67.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 p -87.13 -26.51 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -66.9 -42.77 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.3 mt -58.64 -40.99 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -65.16 -37.99 89.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.646 ' HA ' HD23 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -56.96 -26.45 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.4 m -75.69 -36.85 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -26.58 63.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 104' ' ' GLU . 4.4 mm? -52.83 -29.13 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 pp -95.63 -26.0 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.95 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -65.95 93.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -120.89 152.25 38.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.3 p -65.02 -47.34 77.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.2 m 62.4 98.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.9 t -97.05 81.05 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.2 m170 53.58 46.74 25.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.1 p -125.07 39.35 3.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -99.15 162.71 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.77 135.01 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 m -76.43 152.97 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.0 p -102.73 115.59 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -143.85 54.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.09 118.94 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.7 t -124.08 139.39 53.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.5 144.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.75 167.15 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -165.82 176.08 8.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.21 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.624 0.726 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.62 40.28 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.14 162.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.86 130.72 2.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p 58.5 177.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -91.66 -73.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.54 177.41 13.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -117.78 -64.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.37 170.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -136.66 36.56 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -163.39 166.03 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -155.78 79.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -107.42 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mtt -113.63 142.74 45.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.55 108.68 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.01 136.96 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -139.47 84.69 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -109.0 150.41 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.99 178.59 35.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.66 23.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.5 Cg_endo -69.67 168.6 20.98 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.373 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.2 Cg_endo -69.78 167.74 70.04 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 -1.822 . . . . 0.0 112.33 -0.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.79 24.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 59.22 94.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.87 -173.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.2 p -130.95 164.36 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m 56.32 76.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -116.92 -177.77 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 52.64 74.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -155.52 48.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -95.78 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.09 139.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.4 tt -115.13 -30.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -152.65 137.73 11.11 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.617 0.722 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.22 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.76 160.57 34.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -83.41 -27.96 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.67 46.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -95.77 164.57 12.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.3 p -112.43 -173.22 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -75.19 -27.88 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.72 -32.58 35.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -69.65 -27.21 64.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 42' ' ' THR . 78.8 t -79.62 -27.47 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -54.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -52.13 -49.24 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -52.04 -45.64 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 67' ' ' PHE . 2.9 tp -64.73 -54.87 24.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -55.37 -31.27 61.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -76.4 -49.22 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.29 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.25 -25.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -55.38 -64.55 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.4 -26.37 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m 63.22 57.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -75.33 176.51 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.9 mtm -144.26 133.27 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 58.25 94.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -150.12 136.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.54 133.86 54.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -34.7 5.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.5 p -56.74 -26.8 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -26.73 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.438 ' HB2' HD22 ' A' ' 50' ' ' LEU . 29.8 m-85 -112.1 26.81 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -87.35 -31.74 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -155.65 46.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ttp -100.45 134.21 43.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.6 137.66 56.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.72 -37.64 51.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -58.72 -26.19 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.03 -32.38 30.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.05 -50.09 74.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.9 p -70.77 -29.55 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -66.99 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmm -60.87 143.77 54.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -114.65 -175.04 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -55.81 -30.12 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.85 -53.28 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.2 -40.68 67.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -72.92 -30.87 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.16 -28.76 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.69 -43.12 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -139.28 173.06 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.0 p -69.11 177.63 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.75 -42.23 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -56.14 -34.66 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.467 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.8 m-20 -80.83 -42.99 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -55.46 -36.33 66.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.45 -26.99 65.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.7 t -82.91 -26.43 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.79 -57.92 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.03 -47.46 71.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.4 t -54.96 -42.59 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -65.82 -49.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.95 -26.11 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 t -89.33 -26.59 21.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.805 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -75.25 -26.52 58.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 34' ' ' VAL . 87.9 mt -76.15 -55.21 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -29.32 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.6 mt-10 -92.86 -26.18 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -26.34 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -87.79 -30.16 20.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 104' ' ' GLU . 3.3 mp -56.11 -25.68 46.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -78.73 -25.9 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.31 25.24 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -128.33 160.58 31.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.9 t30 62.95 26.27 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.2 157.43 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.99 29.77 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m 52.51 -170.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -130.54 -67.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.9 p -91.61 144.79 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -157.85 36.46 0.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -116.56 -73.99 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m 63.16 -177.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.1 p -168.09 141.93 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.82 92.38 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.38 -178.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -113.08 118.2 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.83 146.7 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt 59.79 178.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.67 -53.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.66 72.86 52.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.717 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -161.29 38.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 p -77.38 162.68 27.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.69 100.02 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -161.36 136.34 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.66 132.82 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 176.4 19.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ttp -162.87 -175.47 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -171.9 176.45 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.99 134.81 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -134.67 149.61 50.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.1 151.75 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.8 121.44 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.75 153.32 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 126.44 54.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -140.89 142.17 34.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -88.36 86.93 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.06 139.58 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 168.71 19.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.75 23.56 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.77 168.59 21.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.0 Cg_endo -69.77 167.76 69.93 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.37 -0.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -47.14 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -170.94 -63.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtm -134.25 -179.7 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -77.76 -69.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 m 58.02 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 m120 62.16 -171.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -111.03 38.56 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 -176.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 62.35 28.21 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.37 143.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.46 -31.26 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.9 137.72 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.86 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.87 160.52 60.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.27 37.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.7 p -81.15 -29.62 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.13 46.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -94.3 166.11 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -110.21 -172.75 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.86 -26.0 56.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -42.25 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -55.9 -26.52 47.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 42' ' ' THR . 88.8 t -81.22 -25.98 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -55.4 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.49 -49.94 66.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -52.86 -43.8 66.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.529 HD23 HG22 ' A' ' 64' ' ' THR . 11.6 tp -61.09 -57.53 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.58 -27.46 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -74.23 -49.75 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.06 -25.26 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -62.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.25 -64.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -62.96 -26.35 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 63.19 57.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.708 HD22 ' OD1' ' A' ' 91' ' ' ASN . 26.0 mt -74.34 -177.17 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 132.49 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 57.84 92.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.8 tt -150.46 139.22 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.45 133.74 51.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.529 HG22 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -115.6 -28.59 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -29.36 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -27.6 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.87 28.15 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -134.55 28.73 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.09 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.91 137.43 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.88 43.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.44 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.11 -34.74 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.03 -57.41 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 31.7 p -65.87 -26.6 67.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.41 151.41 47.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.24 -176.87 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -31.9 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.06 -51.05 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.74 -39.61 81.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.613 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.6 m-85 -73.31 -32.84 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.678 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -58.45 -30.07 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -74.73 -26.45 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.02 17.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -150.6 173.65 13.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.1 p -68.2 172.06 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.678 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.44 -44.03 92.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 94' ' ' VAL . 64.3 t80 -54.51 -37.7 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.708 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -82.16 -36.8 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.2 m -57.63 -38.91 75.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.36 -30.5 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 90' ' ' TYR . 58.3 t -72.62 -25.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.3 mt -88.63 -57.92 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -50.27 61.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.2 t -52.72 -53.05 53.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.44 -48.99 77.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.79 -26.12 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -85.54 -26.73 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.17 -40.44 89.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.26 -36.59 84.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -64.78 -32.39 74.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.55 -26.3 67.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.4 t -52.67 -30.2 30.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -29.79 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.48 -26.14 40.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -91.82 -30.04 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.48 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -58.29 144.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.34 175.27 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.57 161.97 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.7 p -128.09 131.41 49.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 p -174.01 102.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -108.59 124.13 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.4 p -139.5 172.35 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.65 72.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 178.84 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -165.88 165.63 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.84 -71.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.05 169.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.64 94.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 m -96.9 -179.01 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.9 158.33 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 126.77 30.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.01 123.06 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.87 160.63 65.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.72 92.08 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.73 122.73 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.96 176.07 15.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -179.67 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -112.01 158.47 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.13 171.82 54.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -102.26 105.72 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -90.86 138.21 31.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.18 119.89 40.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.11 175.4 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 p -150.46 73.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.47 140.14 30.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.0 mmt -88.4 177.29 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.59 147.94 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.49 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.31 41.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -72.75 173.88 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 167.18 13.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.72 168.56 21.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.1 Cg_endo -69.84 167.73 70.24 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.9 35.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.27 -57.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.95 172.27 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.4 p -145.05 120.11 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -160.83 73.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -141.94 -50.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.63 134.24 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.45 175.88 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -62.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.8 p -175.35 132.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt -117.61 -29.15 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.5 137.75 10.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.694 0.759 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.242 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.32 160.71 49.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.99 29.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.3 p -82.44 -32.6 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.64 42.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -94.62 155.97 16.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -115.18 167.72 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -30.92 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.02 -32.08 71.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.435 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.4 m80 -83.04 -42.94 16.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' THR . 46.6 t -56.57 -27.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.47 -54.84 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.2 -48.57 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.17 -45.79 65.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.87 -58.73 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.41 -30.37 39.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -74.59 -51.5 14.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.39 -51.22 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.03 -25.29 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -84.14 -63.29 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.87 -64.28 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -61.55 -26.11 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m 63.1 60.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.23 -170.4 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptp -158.22 134.09 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 61.69 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.12 137.79 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.36 133.74 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.47 -28.18 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -32.1 58.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -30.64 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -100.99 26.3 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -79.06 -33.23 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -161.08 44.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 ttp -90.78 133.69 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -65.66 138.08 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.12 -28.58 42.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.42 95.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HB3' HD21 ' A' ' 99' ' ' LEU . 4.9 mp -52.26 -33.9 43.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.1 m -76.67 -41.21 46.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -59.04 -28.77 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmm -69.99 131.76 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -111.36 -171.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.68 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -80.34 -53.48 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -56.45 -33.92 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.56 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.2 m-85 -79.9 -28.64 39.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD21 HD23 ' A' ' 89' ' ' LEU . 4.9 mt -62.46 -26.88 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -74.66 -27.88 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.35 -43.11 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -140.91 172.4 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -70.6 166.54 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.611 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -60.62 -40.82 93.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.99 -30.02 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.25 -37.36 12.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 83' ' ' PHE . 88.9 m -52.64 -42.01 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.62 -29.16 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -74.28 -27.06 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.81 -55.36 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -52.67 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -55.29 -34.72 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -71.39 -39.12 71.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.7 mp -72.86 -27.95 62.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -88.28 -27.61 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -64.17 -42.83 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.6 -32.59 71.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -59.23 -33.01 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.87 -30.41 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -27.49 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.6 p -55.12 -27.63 46.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.03 -27.31 43.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.09 -31.51 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.72 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.96 124.18 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.0 179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.03 177.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.4 t -158.98 169.8 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.6 t -71.0 106.84 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -169.1 90.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 m -83.63 120.65 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.3 129.49 55.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.74 162.44 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 95.7 p -115.65 125.69 53.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.02 136.71 25.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -124.76 135.53 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 144.13 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.79 121.2 21.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.5 t -143.74 133.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.8 mttt 53.34 65.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.47 96.34 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t70 54.47 70.06 1.84 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.49 -172.94 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 61.2 -178.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.43 132.92 7.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.79 159.25 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -147.19 -177.5 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.15 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 ttt -162.87 150.66 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.72 141.7 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 125.55 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.0 103.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -147.27 58.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -100.25 177.7 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.27 142.62 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -173.85 114.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -122.26 146.62 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.03 100.71 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -90.72 120.36 31.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 169.15 20.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.74 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.1 Cg_endo -69.8 168.6 21.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.2 Cg_endo -69.74 167.7 70.05 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.382 -0.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.2 25.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -98.59 -55.93 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 61.67 -175.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.6 p -147.56 78.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -81.61 -73.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -144.79 141.72 29.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -172.69 81.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -124.73 79.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.69 28.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.94 137.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 tt -100.98 -31.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.8 137.74 10.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -72.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.13 160.6 38.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.45 36.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.7 p -82.87 -26.56 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -106.65 48.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -97.0 159.71 14.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -112.04 172.34 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -61.87 -27.15 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -78.47 -29.59 46.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -77.97 -26.05 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 75' ' ' LEU . 92.3 t -83.94 -25.98 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -90.31 -31.6 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.29 -50.96 11.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.443 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 46.3 t90 -52.47 -39.76 61.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.64 -68.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -35.71 53.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.88 -56.02 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.48 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.02 -25.24 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -62.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -54.48 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -61.69 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 t 63.21 57.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.1 mt -77.86 -170.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.04 144.88 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 59.39 81.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -147.05 141.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.91 133.38 36.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -31.24 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -30.52 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.24 -28.06 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -107.4 26.32 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -73.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -117.07 26.41 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.498 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.4 ttm -61.88 129.44 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.04 137.21 56.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.98 44.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -27.1 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.77 -27.5 61.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -55.84 -57.35 12.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.51 -26.57 67.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -69.5 -37.06 77.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmm -57.34 134.03 55.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -105.55 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.506 ' CE ' HD11 ' A' ' 89' ' ' LEU . 2.9 tptt -55.3 -28.91 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.45 -56.35 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.83 -35.97 58.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.9 m-85 -77.86 -35.17 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 89' ' ' LEU . 4.8 mt -56.68 -31.44 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -26.28 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.03 -40.19 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -146.27 172.39 13.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 p -70.8 159.11 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -53.87 -40.57 66.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -54.4 -30.46 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 59' ' ' LEU . 44.6 m-20 -91.51 -37.53 13.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.417 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.8 m -55.58 -32.66 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.99 -26.58 59.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.87 -28.05 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.38 -59.63 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.37 -48.44 65.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -54.11 -48.41 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -61.74 -45.36 94.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.561 HD21 HD23 ' A' ' 75' ' ' LEU . 1.3 mp -63.65 -26.59 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.9 t -87.29 -26.69 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.49 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.46 -41.99 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -30.74 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -27.34 60.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 t -67.66 -27.1 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.8 t -54.76 -27.24 39.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.95 -26.97 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.92 -29.86 50.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.14 63.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.94 101.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -146.42 52.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.53 122.48 15.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.74 -48.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -154.23 147.21 24.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -124.75 111.86 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.4 t -117.5 146.53 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.87 74.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.77 67.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 p -116.44 43.84 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -105.23 91.76 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -120.6 147.5 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.81 103.79 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.63 168.3 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.7 m -124.69 168.3 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -164.25 138.93 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -109.9 162.71 14.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 160.06 1.04 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -63.47 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -144.48 174.57 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.98 144.79 34.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -140.27 71.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.56 144.37 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.61 172.32 55.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.58 121.29 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -83.3 170.69 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.09 145.24 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -128.69 165.0 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.16 171.34 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -112.7 150.29 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.11 148.69 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.59 150.54 40.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -127.31 138.33 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 -174.99 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.09 118.51 28.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.53 177.44 0.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.72 23.73 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.5 Cg_endo -69.76 167.73 70.01 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.309 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -175.05 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.26 -56.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.19 -68.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -142.73 38.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 t -79.6 -27.87 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -155.35 -62.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 55.15 27.37 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 55.84 83.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.707 ' HG2' HG12 ' A' ' 32' ' ' VAL . 9.5 ttt180 -148.52 -73.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.707 HG12 ' HG2' ' A' ' 31' ' ' ARG . 7.5 p -173.75 126.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.68 -32.42 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.7 137.72 11.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.3 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.15 160.57 35.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.15 37.8 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -78.26 -32.01 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.48 49.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -99.63 160.88 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.59 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.4 t -118.81 168.45 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -55.73 -26.38 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 42' ' ' THR . 0.6 OUTLIER -75.54 -27.93 58.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.59 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.6 m80 -87.39 -28.74 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 42' ' ' THR . 41.6 t -71.98 -30.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -89.72 -47.92 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -57.94 -49.01 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -52.32 -55.96 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 67' ' ' PHE . 7.8 tp -55.11 -56.78 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.4 -31.5 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -76.6 -44.65 33.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.93 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.67 -29.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.85 -65.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -61.8 -26.32 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t 63.04 52.63 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.714 HD22 ' OD1' ' A' ' 91' ' ' ASN . 27.1 mt -68.69 -170.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -154.13 123.83 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 62.3 93.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -145.54 137.22 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 133.64 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -35.27 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -55.84 -27.59 52.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -26.56 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 50' ' ' LEU . 27.6 m-85 -110.84 26.35 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.46 -32.08 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.9 55.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.79 139.25 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.76 137.38 57.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.24 -26.76 29.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -31.72 70.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.92 -37.86 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.18 -31.05 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 m -76.1 -42.19 47.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.42 -30.53 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtp -62.4 112.4 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -171.91 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -31.67 44.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.24 -53.96 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -52.39 -44.9 65.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.3 m-85 -70.63 -34.09 71.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 89' ' ' LEU . 3.6 mt -57.57 -26.78 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -74.34 -32.75 62.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.84 -42.64 17.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -142.09 173.46 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -70.78 171.96 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.34 -41.29 96.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -56.64 -30.92 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.714 ' OD1' HD22 ' A' ' 59' ' ' LEU . 32.0 m-20 -89.35 -37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.486 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.5 m -58.24 -33.32 69.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.93 -27.91 62.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.87 -25.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -86.68 -58.22 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.7 tp -52.7 -52.85 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 t -54.33 -35.16 62.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.69 -49.85 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -26.76 68.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.9 t -85.77 -28.1 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.67 -38.43 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -32.65 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -59.32 -31.3 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.4 -29.72 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 t -60.41 -29.48 69.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -93.42 -30.01 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.3 mt -55.41 -26.2 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.53 -30.01 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.96 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -60.5 174.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -88.45 173.68 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.24 170.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 m 62.59 36.4 13.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.4 175.32 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.24 153.1 49.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.56 178.14 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -53.79 151.8 6.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m -114.96 -174.37 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.5 p -95.01 -177.59 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -138.29 176.81 8.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.6 177.22 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.1 166.53 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 76.3 t -79.55 129.68 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.01 133.38 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 -34.18 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.08 160.55 51.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 56.68 87.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.37 -171.91 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.67 -165.59 11.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 t -156.36 88.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.97 -171.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.31 62.41 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 tpt -137.97 136.5 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -150.56 177.05 10.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -131.97 169.47 16.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -124.64 82.59 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.86 -177.11 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 111.33 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.87 128.93 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.12 97.5 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.99 167.17 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.61 139.73 10.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -77.18 158.54 30.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.92 169.52 50.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.76 23.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.77 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.73 167.79 69.68 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.323 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -32.9 17.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.66 154.21 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 mtm -90.26 173.46 8.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 t -152.48 153.08 32.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.08 178.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -72.26 -57.29 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.7 72.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.54 95.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.16 -65.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.77 129.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.38 -31.33 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -155.03 137.73 10.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.177 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -74.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -117.68 160.6 37.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -78.59 -32.41 47.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.87 52.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -102.06 164.92 11.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.572 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -123.87 168.55 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -56.19 -25.89 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 42' ' ' THR . 0.9 OUTLIER -76.6 -26.14 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.3 m80 -88.94 -28.05 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 42' ' ' THR . 43.5 t -76.38 -27.62 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -90.2 -49.42 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.4 -49.28 77.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -52.86 -50.48 63.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.7 -55.88 29.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -52.66 -47.99 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.56 -46.18 91.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.56 -54.15 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.77 -25.77 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.34 -60.85 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -61.96 -26.31 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t 63.16 59.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' OD1' ' A' ' 91' ' ' ASN . 16.7 mt -85.86 -175.85 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -160.61 157.46 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 54.27 64.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 tt -130.77 150.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.15 133.98 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -28.04 68.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.91 30.86 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.33 -74.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.93 33.0 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.32 133.64 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.61 138.11 57.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.74 -34.43 44.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -28.34 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -36.82 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.15 -26.57 39.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.55 -47.94 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -57.53 -27.97 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -65.47 128.64 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -103.22 -173.72 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HE2' HD11 ' A' ' 89' ' ' LEU . 1.2 tptt -61.79 -33.41 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 mt-10 -72.41 -41.27 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.02 -51.56 63.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CB ' HG23 ' A' ' 92' ' ' THR . 10.7 m-85 -60.36 -31.74 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 89' ' ' LEU . 6.6 mt -60.27 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.46 -30.48 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.69 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -161.05 171.89 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.7 p -68.88 160.05 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.9 tp -54.81 -40.42 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 94' ' ' VAL . 47.4 t80 -52.72 -33.92 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.489 ' OD1' HD22 ' A' ' 59' ' ' LEU . 53.2 m-20 -87.87 -35.26 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.498 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.6 m -62.0 -42.51 99.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.52 -31.0 72.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 90' ' ' TYR . 68.9 t -78.87 -42.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.88 -59.12 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.61 -44.32 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.5 t -52.77 -61.34 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.08 -27.37 53.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.73 62.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.23 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.09 -32.86 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 34' ' ' VAL . 67.5 mt -70.99 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -55.19 -29.72 58.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.663 ' HA ' HD23 ' A' ' 107' ' ' LEU . 6.9 mt-10 -57.73 -26.23 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.1 m -75.48 -36.14 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -26.65 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 104' ' ' GLU . 4.3 mm? -53.33 -28.76 30.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.33 -29.56 28.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.33 33.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 168.56 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.31 103.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.57 170.12 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 114' ' ' SER . 0.2 OUTLIER 63.84 173.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 113' ' ' THR . 37.0 m -72.95 89.86 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.44 176.08 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 p -151.08 37.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -79.43 157.68 27.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -124.68 38.57 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.8 p -95.74 143.67 26.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.16 162.44 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.85 173.37 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.1 146.63 23.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 m -151.14 98.76 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.38 133.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 138.83 49.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 102.84 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.65 160.56 35.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -104.51 157.28 17.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -95.62 113.62 25.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.83 75.07 1.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.75 168.01 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.71 100.61 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.45 131.57 14.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mtm -80.72 -74.32 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -175.09 49.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -75.43 85.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -27.69 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.1 p -71.27 150.14 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -170.21 162.73 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.77 121.39 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.87 147.21 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -124.87 129.56 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -149.84 129.4 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -89.52 174.08 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.38 -174.35 28.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.75 23.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.8 168.63 21.07 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.76 167.75 69.91 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.374 -0.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -35.65 12.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.688 2.258 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.92 171.54 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.85 -31.38 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 t -139.79 141.97 36.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 p -141.1 149.83 42.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -89.98 -175.37 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -124.17 26.32 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 52.8 80.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.3 27.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 p -175.74 140.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 tt -87.21 -33.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.0 137.73 10.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.35 -70.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.87 160.63 43.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -15.23 36.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -77.64 -33.56 53.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.24 53.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -102.34 158.46 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.9 t -116.93 168.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -56.02 -30.73 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' H ' HG23 ' A' ' 42' ' ' THR . 8.1 tp10 -72.57 -26.89 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 42' ' ' THR . 19.1 m80 -86.07 -26.34 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.431 HG12 ' HB3' ' A' ' 67' ' ' PHE . 73.2 t -76.17 -25.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -56.92 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.42 -46.78 66.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -52.2 -47.13 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 64' ' ' THR . 11.3 tp -52.17 -49.78 63.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.53 -26.52 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -71.8 -60.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.82 -51.59 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CD1' HG21 ' A' ' 62' ' ' ILE . 62.9 mt -57.52 -25.37 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -64.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.26 -63.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -62.46 -26.32 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.02 63.35 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.7 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.2 mt -86.49 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptp -155.73 140.72 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 58.64 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 54' ' ' ILE . 9.3 tt -154.25 143.06 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 142.43 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.485 HG22 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -118.15 -28.98 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -27.76 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' HB3' HG12 ' A' ' 46' ' ' VAL . 16.5 m-85 -106.22 27.28 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -73.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -125.13 38.2 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 tpp -72.58 135.79 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.45 137.37 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.86 -43.12 60.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -63.07 -27.05 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp -52.09 -34.24 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.12 -51.67 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -56.99 -26.02 59.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -53.63 124.72 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -94.41 -170.52 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -61.39 -60.17 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.8 pt-20 -51.9 -37.8 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -32.01 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -94.09 -34.47 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD21 HD23 ' A' ' 89' ' ' LEU . 7.5 mt -56.08 -25.58 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -75.88 -26.26 56.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.72 -46.95 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.431 HG21 ' HB3' ' A' ' 91' ' ' ASN . 14.5 t -136.04 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -73.18 -179.44 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.77 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -68.47 -43.61 76.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.515 ' O ' HG23 ' A' ' 94' ' ' VAL . 54.8 t80 -52.05 -30.03 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.7 ' OD1' HD22 ' A' ' 59' ' ' LEU . 27.3 m-20 -93.54 -37.85 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.6 m -52.14 -47.29 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.3 -26.38 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 90' ' ' TYR . 91.7 t -74.99 -27.1 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.47 -57.58 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -61.13 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t -52.07 -52.91 48.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.76 -42.6 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -66.14 -25.88 67.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.5 p -86.31 -26.74 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.79 -37.27 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.96 -36.54 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.17 -33.46 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -28.26 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -29.92 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -91.55 -27.04 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.05 -26.93 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.94 -26.89 23.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.89 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -70.63 105.79 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.41 -171.33 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.4 p -63.73 94.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.9 171.15 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.0 m -139.12 33.21 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -171.1 150.67 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 32.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.99 176.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -138.67 113.88 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 p -136.74 135.96 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 93.3 p -119.73 147.89 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -80.71 161.1 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.6 73.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -113.49 76.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.92 100.09 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tptt 52.87 61.52 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -123.76 96.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.94 160.59 68.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -46.98 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.01 171.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.96 87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -171.78 112.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -135.91 152.59 51.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 169.86 11.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.07 169.09 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.42 103.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -148.73 66.29 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.81 128.23 44.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -122.41 150.57 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.19 151.65 40.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 mtm -56.38 140.75 44.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.33 155.08 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -134.02 97.65 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -66.64 149.42 50.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.87 147.73 35.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.56 169.07 54.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.9 Cg_endo -69.77 168.66 20.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.71 167.72 69.85 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.332 -0.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -21.63 33.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.74 157.52 35.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.16 -173.04 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -144.12 85.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.36 128.02 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 57.67 -171.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.02 114.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -141.94 43.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.92 113.67 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.67 136.48 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 tt -90.5 -32.24 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.22 137.69 10.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.87 160.65 36.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -14.7 36.2 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -79.22 -30.82 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.13 53.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -102.33 165.8 10.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.575 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.2 t -124.71 168.57 13.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.92 -26.38 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.98 -26.85 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.7 m80 -88.67 -27.62 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 70' ' ' MET . 60.4 t -74.39 -28.53 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -50.01 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -56.89 -48.63 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -52.82 -46.04 67.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD23 HG22 ' A' ' 64' ' ' THR . 5.1 tp -60.6 -51.39 69.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.84 -26.8 66.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -80.17 -41.82 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.42 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.95 -25.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -62.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -63.49 -26.32 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m 62.98 59.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.2 mt -78.5 -170.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.1 ptp -156.39 137.56 13.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.97 94.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -156.34 138.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.73 137.44 42.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 HD23 ' A' ' 50' ' ' LEU . 1.5 p -108.71 -33.09 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -26.77 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -26.99 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' HB2' HD22 ' A' ' 50' ' ' LEU . 26.9 m-85 -113.46 26.4 10.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -84.21 -32.15 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.75 35.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.0 ttp -86.62 131.0 34.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -65.64 138.08 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.14 -30.36 38.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.83 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.38 -34.69 58.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.25 -27.22 54.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.24 -49.57 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -57.66 -26.87 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 mmm -60.72 126.6 28.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -109.53 -176.05 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.1 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.67 -50.79 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.03 -45.43 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.587 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.1 m-85 -69.43 -27.86 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 89' ' ' LEU . 4.6 mt -63.0 -27.49 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -77.32 -27.21 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.4 -32.19 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -153.98 172.62 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 p -68.48 171.44 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.08 -40.94 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.6 t80 -56.24 -37.08 69.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.541 ' OD1' HD22 ' A' ' 59' ' ' LEU . 83.0 m-20 -82.86 -36.98 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.0 m -56.87 -39.44 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.68 -28.9 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' TYR . 72.9 t -77.08 -26.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.77 -55.63 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.4 tp -54.59 -52.72 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.5 t -52.94 -40.42 63.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -65.55 -44.99 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.12 -26.01 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -26.61 25.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.75 -42.13 96.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.96 -35.47 81.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -66.18 -36.75 83.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -59.22 -28.66 66.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -27.53 66.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -27.55 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.6 mt -55.82 -26.78 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.48 -29.83 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.82 79.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.69 98.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -125.43 -69.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.93 144.6 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.21 143.58 20.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.32 178.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -137.24 149.29 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 152.56 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.72 177.16 11.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.96 169.29 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -146.36 155.25 42.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.4 178.68 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -173.84 166.57 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.74 120.17 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 p -162.33 57.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.16 145.62 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 130.73 50.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.04 162.84 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.98 160.58 27.61 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.4 124.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -175.7 166.5 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 128.41 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 81.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.99 166.35 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.99 92.33 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 mtp -143.97 174.43 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.44 -62.28 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 56.23 86.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -104.57 -177.42 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.3 m -151.84 161.92 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -120.34 108.15 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mmm -148.57 131.46 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -159.32 139.63 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.1 115.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.03 108.27 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.23 168.7 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.73 168.62 20.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.72 167.73 69.86 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.313 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -38.52 7.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -136.42 151.65 49.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 57.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -136.06 157.35 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.95 -73.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -139.3 121.61 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -165.61 -177.79 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' HG12 ' A' ' 32' ' ' VAL . 23.8 ptt180 -130.26 151.0 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.25 96.03 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 30' ' ' ARG . 7.5 p -171.9 126.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 tt -114.54 -30.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.68 10.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.388 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.97 160.62 31.6 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -16.32 37.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 p -98.25 24.91 6.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -150.75 28.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -78.93 170.86 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.8 p -116.47 -173.57 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.5 -26.76 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.7 -44.65 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -56.19 -26.04 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 75' ' ' LEU . 61.0 t -78.06 -28.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -52.98 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.48 -49.15 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -54.71 -44.91 73.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.8 -58.91 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.96 -38.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -68.73 -46.67 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.47 57.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.62 -26.05 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -61.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.27 -62.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -61.99 -26.39 68.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t 62.86 56.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.689 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.1 mt -78.02 -176.61 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.03 140.11 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 60.32 82.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.23 139.68 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.83 133.78 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -27.84 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.46 -31.41 71.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.97 28.67 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.49 -68.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 27.77 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.1 ttm -63.23 134.11 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.04 137.67 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.35 -44.36 58.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -64.12 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.62 -30.15 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.749 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -53.8 -56.28 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.56 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.09 130.47 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -96.17 -176.93 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.11 69.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.4 mt-10 -69.99 -37.07 75.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.87 -51.67 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.541 ' CB ' HG23 ' A' ' 92' ' ' THR . 12.3 m-85 -62.49 -26.54 68.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.737 HD21 HD23 ' A' ' 89' ' ' LEU . 6.2 mt -61.65 -32.06 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.26 -42.07 12.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -143.75 173.72 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -69.9 169.08 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.737 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -62.97 -38.95 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.95 -32.59 67.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.689 ' OD1' HD22 ' A' ' 59' ' ' LEU . 25.1 m-20 -87.34 -40.52 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.541 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.4 m -53.85 -39.0 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.59 -26.67 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.66 -25.38 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 mt -85.7 -59.86 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -47.35 65.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 t -52.74 -56.95 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.84 -32.9 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.749 HD21 HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -72.58 -26.6 61.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.4 t -88.1 -30.58 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -53.9 -29.65 42.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.964 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.42 -33.37 64.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -64.53 -40.03 94.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.97 -27.82 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -61.89 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.09 -29.59 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.8 mt -55.71 -26.16 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -79.97 -28.72 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.51 72.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.34 -69.75 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -62.06 -33.18 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.6 110.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.81 146.82 38.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -120.06 35.74 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -147.08 96.52 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -155.05 137.2 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -77.75 162.42 26.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -151.82 147.21 26.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -147.86 108.63 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.6 m -99.58 78.51 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -116.94 33.78 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 58.42 178.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.0 m -108.59 35.33 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.47 75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.84 174.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 58.26 36.99 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.93 155.66 89.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.598 0.713 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.296 . . . . 0.0 112.326 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -155.5 96.37 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -143.38 144.65 32.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.0 -135.82 3.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.67 -175.99 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.02 140.48 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.9 160.56 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.7 ttt -155.71 147.11 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -130.6 -66.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.05 -170.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -162.38 -173.86 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -160.84 111.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -144.36 137.29 27.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -125.68 122.05 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.19 112.8 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -112.73 158.12 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.91 89.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -160.19 146.24 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.5 168.64 16.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.68 23.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.71 168.62 20.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.78 167.72 70.11 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.319 -0.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -25.26 28.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -163.96 166.76 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -169.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -152.76 153.59 33.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -138.53 25.07 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 63.26 161.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.16 166.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -76.19 140.4 41.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.804 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -54.77 -73.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -177.35 129.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 tt -113.24 -33.77 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.32 137.74 10.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.87 160.56 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.16 34.27 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 p -82.81 -25.63 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.25 50.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -102.33 160.15 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -121.91 170.11 10.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -54.71 -28.08 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' THR . 2.0 tt0 -73.56 -30.19 62.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' ND1' HG22 ' A' ' 42' ' ' THR . 29.8 m80 -86.71 -26.96 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 42' ' ' THR . 59.4 t -73.6 -28.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.35 -55.2 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -52.37 -49.16 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.27 -47.02 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.7 -52.5 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.36 -26.76 53.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -74.34 -51.12 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 57' ' ' TYR . . . -60.08 -47.94 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.48 -25.16 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -89.64 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.512 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 19.2 m-85 -63.34 -26.57 68.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t 63.06 57.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' OD1' ' A' ' 91' ' ' ASN . 18.6 mt -73.07 -170.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.07 131.67 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 59.08 94.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.5 tt -146.8 140.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.4 133.44 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -36.05 6.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 p -57.35 -26.89 61.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -26.4 63.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' HB3' HG12 ' A' ' 46' ' ' VAL . 27.4 m-85 -114.72 26.51 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.13 -31.11 25.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -155.48 41.11 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 46' ' ' VAL . 1.1 ttp -89.75 134.27 34.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.37 136.32 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.67 -30.93 36.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -39.26 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.32 -36.26 83.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HB3' HD21 ' A' ' 99' ' ' LEU . 3.0 mp -53.2 -28.77 28.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 m -82.33 -48.4 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -57.5 -26.93 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -68.56 130.27 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -110.61 -175.0 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -30.18 28.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -63.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' HB3' HG23 ' A' ' 92' ' ' THR . 4.1 m-85 -79.61 -32.74 41.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.25 -28.45 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -75.23 -26.23 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.07 -36.89 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.03 173.49 12.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.7 p -68.46 177.17 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -67.48 -43.91 79.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -52.25 -48.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.672 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -69.66 -44.0 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 83' ' ' PHE . 93.6 m -54.29 -33.66 59.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.45 -28.82 66.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.3 t -82.64 -43.02 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.66 -57.94 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -52.31 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 t -52.17 -55.3 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -52.34 -50.9 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.8 mp -58.37 -26.09 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 m -86.47 -26.57 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.93 -37.28 86.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.96 -44.01 97.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -57.55 -27.15 62.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.91 -26.15 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 t -52.17 -30.82 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.86 -32.1 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 107' ' ' LEU . 16.2 mt -56.58 -24.71 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.54 -29.11 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.69 40.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.18 96.43 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -169.24 -177.52 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.69 120.42 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -74.39 128.05 34.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.41 92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -63.4 157.87 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.99 140.43 24.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -95.76 -35.83 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 57.03 60.2 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.1 m -133.32 109.92 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.1 p -168.79 41.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.46 118.41 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp -108.45 148.64 29.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.7 p -95.83 132.69 40.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.86 145.02 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 153.53 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.74 178.54 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -152.49 70.11 7.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.736 2.291 . . . . 0.0 112.358 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.49 -34.12 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.838 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m 60.45 -175.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 83.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -127.69 152.97 47.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -140.62 175.47 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 118.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 ptm -98.0 164.43 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -83.35 123.91 30.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.21 86.22 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.48 173.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -117.23 178.92 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -100.17 87.05 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.6 143.95 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.34 127.3 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.11 98.41 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -98.34 176.9 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -63.71 153.59 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.49 176.22 54.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 167.78 23.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.75 167.76 69.88 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -37.52 9.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 54.83 43.25 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mtp 61.25 -178.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -68.81 -56.69 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 p -128.92 168.28 16.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -91.72 -50.89 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.22 170.85 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.0 27.61 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -68.8 -70.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -104.83 139.01 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 tt -89.06 -31.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.01 137.71 10.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 -48.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.34 160.55 45.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -16.64 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.86 56.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -102.98 165.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.641 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.03 167.1 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.01 -28.18 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -74.52 -28.14 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.641 ' ND1' HG22 ' A' ' 42' ' ' THR . 24.1 m80 -86.8 -28.22 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 59.3 t -73.31 -28.29 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.48 -51.75 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.08 -48.01 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 44.1 t90 -53.83 -46.9 71.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.28 -59.21 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.95 -32.39 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -73.09 -48.55 34.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.23 -25.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.92 -65.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -62.24 -26.54 68.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t 63.14 54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.4 mt -71.69 -171.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -157.76 134.59 9.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 63.18 85.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -146.74 139.79 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 134.18 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.74 -30.12 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -26.69 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -27.98 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -109.36 32.07 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.14 -28.01 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -152.0 26.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 tpp -76.57 135.12 39.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.4 137.59 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.89 -33.97 44.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.04 -27.22 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.34 -35.28 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD23 HD21 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.5 -48.2 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.15 -27.85 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -71.64 -33.07 68.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.6 mtp -52.49 117.12 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -90.35 -170.92 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -33.12 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -76.79 -43.02 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -56.13 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.438 ' CB ' HG23 ' A' ' 92' ' ' THR . 6.4 m-85 -58.7 -32.7 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 89' ' ' LEU . 6.1 mt -58.25 -31.0 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -73.61 -28.18 61.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.08 -38.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.97 173.06 13.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -70.06 168.74 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD23 HD21 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -61.56 -41.32 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -52.92 -42.56 65.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.513 ' OD1' HD22 ' A' ' 59' ' ' LEU . 89.9 m-20 -79.46 -39.6 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' CB ' ' A' ' 83' ' ' PHE . 89.8 m -52.3 -38.96 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.59 -30.41 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.6 -27.7 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.02 -54.12 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.28 -41.34 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.6 t -60.86 -39.59 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -69.37 -44.76 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.458 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 2.2 mp -68.3 -26.36 65.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 m -87.24 -28.32 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.84 -32.05 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.7 mt -74.48 -27.38 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -61.5 -36.58 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.69 -29.32 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -26.5 41.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -93.3 -33.44 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.73 -23.44 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.34 -21.27 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.7 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.46 164.74 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 53.15 82.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -129.38 98.66 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.85 -43.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 155.51 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -56.95 157.75 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.97 101.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.34 55.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 114.41 26.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.91 -179.94 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t 57.93 -179.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.25 33.54 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.76 105.2 17.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 176.6 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t 52.47 76.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 128.68 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.98 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.87 160.62 73.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.35 -170.72 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -166.75 -178.61 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 146.33 4.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.83 137.19 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.63 172.24 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.3 136.27 7.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.28 119.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.27 157.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.75 132.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.23 143.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.47 135.87 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -131.57 140.02 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtt -75.67 123.13 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.16 110.71 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.16 176.84 10.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -163.07 89.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -156.8 157.95 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.17 -175.53 13.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.73 23.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.6 Cg_endo -69.73 168.61 21.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.333 -0.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.9 15.5 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -128.74 48.31 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -99.14 -31.61 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.1 p -62.92 106.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.16 43.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -131.45 167.22 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -135.51 156.04 49.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.32 45.08 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.42 107.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -166.42 143.53 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 tt -98.68 -30.26 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.73 10.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.153 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.21 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 160.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.55 37.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -75.83 -36.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -101.51 53.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -101.09 166.73 10.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.631 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.18 168.57 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -56.75 -27.34 59.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.34 -27.92 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.631 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.3 m80 -86.68 -27.0 24.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 42' ' ' THR . 55.9 t -74.73 -29.26 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -90.26 -50.0 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -55.85 -49.24 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.05 -49.04 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.61 -49.18 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.88 -26.72 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -77.71 -58.16 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -53.15 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.0 mt -55.6 -25.66 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -83.5 -60.08 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -61.3 -26.28 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m 63.0 55.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.7 mt -80.68 -171.99 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -163.33 147.94 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 63.22 67.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 tt -132.78 146.13 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 136.46 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 -34.18 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -60.99 -26.69 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -27.42 62.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -112.09 26.65 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.07 -27.85 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -158.06 49.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -102.09 142.86 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.27 137.46 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.8 49.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -66.35 -29.28 69.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.95 -34.48 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -53.06 -43.68 66.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.52 -42.72 67.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.78 -32.91 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.05 126.99 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -103.42 -173.54 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.06 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.28 -51.76 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.65 -40.86 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.4 m-85 -75.76 -28.9 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 89' ' ' LEU . 4.3 mt -61.92 -26.3 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -75.37 -26.38 58.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.42 -41.44 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -139.36 173.13 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.0 p -71.24 172.55 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -66.76 -40.63 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 94' ' ' VAL . 44.8 t80 -57.51 -34.97 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 59' ' ' LEU . 68.7 m-20 -84.12 -41.08 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.4 m -54.32 -36.63 63.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.43 -27.08 63.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 90' ' ' TYR . 55.9 t -80.12 -38.18 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.79 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.52 -50.55 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -54.9 -46.34 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.71 -51.43 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.7 -26.0 42.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -89.64 -26.59 20.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.0 -27.2 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.19 -53.09 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -26.84 57.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -81.29 -27.85 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.471 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.1 t -84.7 -27.03 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.2 p -56.0 -25.57 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 mp -56.76 -24.65 51.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 105' ' ' SER . 1.5 pp -71.4 -21.66 61.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.39 -61.34 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -67.83 141.86 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -140.14 -172.43 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.5 p -57.8 153.23 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.36 172.43 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.6 -172.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -174.72 -176.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.86 153.83 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -100.6 137.81 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -134.47 141.84 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 t -96.5 136.42 37.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 m -159.05 84.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -174.66 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mt -150.97 145.02 25.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -126.94 79.25 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -58.43 164.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.5 140.42 38.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -137.36 -49.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.64 160.58 68.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.95 112.41 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -151.03 108.24 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.0 -172.97 21.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.8 140.47 48.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.838 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -87.62 178.98 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.59 68.77 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttp -102.28 133.12 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -145.13 144.41 30.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.37 121.87 26.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -87.14 -32.06 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 m 54.8 90.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -96.35 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.02 131.44 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.14 171.3 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.76 102.64 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.06 136.58 35.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.43 78.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.3 171.96 30.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 167.75 23.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.4 Cg_endo -69.77 168.62 21.06 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.76 167.79 69.79 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.338 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -47.1 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -151.96 129.43 11.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -101.34 138.1 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.5 p 51.39 -171.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.4 p -96.59 38.87 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.13 -175.96 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.74 40.32 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 53.03 85.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -66.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -172.41 136.89 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt -95.53 -30.59 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.64 137.73 11.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.24 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.91 160.59 38.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.99 37.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 p -81.62 -25.84 35.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.69 49.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -97.93 163.01 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 46' ' ' VAL . 38.3 p -108.26 -173.14 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.37 -29.71 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.85 -41.33 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -58.14 -27.09 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 42' ' ' THR . 60.1 t -79.04 -25.74 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -52.48 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -53.22 -47.48 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CH2' HD13 ' A' ' 99' ' ' LEU . 33.9 t90 -52.09 -54.77 26.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.1 tp -54.47 -49.28 70.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.21 -26.85 66.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -80.69 -46.7 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.51 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.57 -25.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -62.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.27 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -61.47 -26.34 67.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 t 62.66 54.41 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -176.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.63 130.28 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 63.05 97.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.6 tt -154.48 137.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.74 133.39 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -33.76 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -26.8 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -26.81 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' HB2' HD22 ' A' ' 50' ' ' LEU . 32.2 m-85 -111.83 27.42 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -88.95 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -155.35 56.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.6 ttp -110.55 141.44 43.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 137.62 54.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -42.07 55.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -33.8 72.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -39.31 93.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.82 -31.17 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.7 m -75.88 -42.07 50.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.93 -28.34 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.4 mtp -62.53 113.43 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -91.68 179.18 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -30.75 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.09 -51.44 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -53.18 -45.13 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.1 m-85 -68.2 -36.13 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 89' ' ' LEU . 9.1 mt -60.15 -29.73 68.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -73.46 -26.22 60.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.59 -42.77 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -141.5 173.27 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -71.83 161.74 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.2 tp -57.85 -40.36 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -52.39 -34.94 50.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.87 -41.21 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.459 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -57.0 -42.72 80.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.52 -30.11 71.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.03 -25.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 92' ' ' THR . 10.8 mt -84.9 -59.9 2.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.27 -45.08 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -59.23 -48.03 83.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -59.03 -53.21 60.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.45 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.3 mp -56.87 -26.2 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -86.92 -26.72 23.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.24 -36.8 85.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.96 -38.12 84.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -32.13 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -26.39 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 108' ' ' LEU . 23.3 t -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -54.72 -27.17 38.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.03 -28.02 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 105' ' ' SER . 1.6 pp -65.98 -31.19 71.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.63 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.35 155.75 40.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -53.86 136.14 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.07 162.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.2 t -117.66 -31.55 5.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.06 -175.65 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -68.35 121.96 17.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 p -116.6 177.85 4.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.98 53.38 4.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -87.01 55.65 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.11 179.82 5.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t 59.19 80.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -99.51 62.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.14 107.72 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.07 177.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.2 m -66.57 156.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.52 53.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.52 114.99 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.91 160.56 28.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.252 . . . . 0.0 112.376 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 163.43 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -161.34 148.03 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.36 154.59 21.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -164.1 165.24 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.37 -170.14 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.22 -129.39 2.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.53 164.85 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -146.91 176.02 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -140.43 160.38 40.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -124.4 178.91 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.44 155.22 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -147.21 174.74 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -163.6 144.46 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.7 169.46 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.03 159.7 28.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -62.31 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 57.35 93.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 166.62 38.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 167.71 23.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.74 168.58 21.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.3 Cg_endo -69.77 167.8 69.78 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 173.54 10.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -68.35 -40.97 81.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 55.84 89.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -142.12 87.3 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p -109.25 144.04 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -97.2 -63.91 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -98.75 77.94 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -172.44 106.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.75 ' HG3' HG12 ' A' ' 32' ' ' VAL . 1.1 tpp180 -120.28 -70.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.75 HG12 ' HG3' ' A' ' 31' ' ' ARG . 7.5 p -176.33 129.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt -111.64 -29.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.11 137.67 10.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.47 160.6 45.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -78.46 -31.71 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -104.63 52.39 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -101.33 163.21 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.551 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.2 t -122.27 169.63 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.13 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' H ' HG23 ' A' ' 42' ' ' THR . 2.4 tt0 -75.43 -26.78 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.551 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.6 m80 -88.97 -26.37 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' THR . 61.9 t -76.48 -29.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttp85 -89.59 -47.74 7.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -59.11 -49.66 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -52.3 -49.93 63.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -51.41 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.36 -29.92 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -77.64 -53.43 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.93 -51.45 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.4 -25.47 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -63.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.16 73.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.665 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.6 mt -98.91 137.37 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -114.29 -15.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -118.67 68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.2 tt -145.07 143.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.67 135.06 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -28.04 11.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -34.27 77.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.24 -28.44 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -107.25 31.01 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -69.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.7 56.3 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 tpp -95.62 144.1 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.36 137.68 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -37.73 47.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -28.65 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.49 -36.58 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.2 mp -52.72 -53.42 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.4 p -69.36 -26.98 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.38 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.95 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -108.74 -178.45 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 89' ' ' LEU . 21.9 tttt -52.03 -33.93 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -73.18 -52.79 12.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -54.89 -38.81 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CB ' HG23 ' A' ' 92' ' ' THR . 9.2 m-85 -74.98 -31.49 61.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -60.89 -27.85 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -73.95 -31.06 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.42 -40.72 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -144.58 173.49 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.3 p -69.73 173.28 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -64.91 -43.43 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.555 ' O ' HG23 ' A' ' 94' ' ' VAL . 75.0 t80 -53.22 -31.93 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.665 ' OD1' HD22 ' A' ' 59' ' ' LEU . 36.7 m-20 -90.02 -39.66 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -52.64 -39.42 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.7 -26.71 61.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 90' ' ' TYR . 85.4 t -77.71 -25.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.03 -57.86 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -50.69 63.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.7 t -53.86 -41.02 67.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -65.68 -43.63 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.5 mp -68.19 -26.01 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -26.82 22.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -67.71 -34.36 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.96 -56.87 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -52.45 -30.1 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.49 49.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.8 m -55.34 -33.63 63.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -30.15 15.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -55.6 -26.02 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.64 -32.24 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.2 -33.36 40.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.22 176.77 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 62.7 102.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.53 127.31 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.0 t -60.1 -25.85 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -55.03 161.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -166.05 177.98 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 p -54.23 145.53 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -64.47 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -74.71 105.96 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.0 p -149.41 42.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.6 m -79.53 125.2 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -117.84 154.0 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp 62.27 177.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.4 p -178.72 170.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.37 -179.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 153.93 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.49 -54.07 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.84 160.1 34.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.0 103.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.18 89.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.43 106.59 2.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.41 95.8 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -139.96 138.79 35.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.04 36.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.44 164.68 21.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -115.54 136.94 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.92 -37.12 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 61.09 -170.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.07 104.3 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -83.02 178.17 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.19 173.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.6 -26.83 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 63.21 91.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -74.75 129.58 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -160.77 -176.43 5.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.24 170.8 42.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.75 23.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.77 168.61 21.09 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.76 167.76 69.9 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.323 -0.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -19.83 35.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.47 100.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.65 -177.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -177.13 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.6 134.89 39.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -113.16 136.07 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.36 120.61 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -120.38 139.16 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.52 119.13 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.71 137.98 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tt -96.24 -32.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.61 137.68 10.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.645 0.736 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 160.59 37.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.14 37.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.1 p -78.01 -34.82 50.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.41 50.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -99.72 162.38 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.614 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.9 t -120.48 169.48 10.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.54 -26.94 56.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' H ' HG23 ' A' ' 42' ' ' THR . 5.5 tt0 -75.63 -26.22 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.614 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.4 m80 -89.59 -27.27 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' THR . 61.8 t -74.34 -29.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -89.25 -49.5 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -56.44 -49.54 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CH2' HD22 ' A' ' 95' ' ' LEU . 43.6 t90 -52.05 -45.26 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.3 tp -62.09 -53.49 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.54 -33.77 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.38 -44.5 58.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.87 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.99 -26.02 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.95 -64.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -52.51 -64.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -61.42 -26.39 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t 63.08 61.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.34 -170.25 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.4 ptp -157.86 137.02 11.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.57 93.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -151.04 136.81 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.66 133.53 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 -35.65 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -26.74 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -27.06 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' HB2' HD22 ' A' ' 50' ' ' LEU . 30.7 m-85 -113.06 26.42 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -85.53 -31.49 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -157.83 43.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 ttp -91.32 140.5 29.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.69 136.19 55.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.49 -30.81 34.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -33.73 75.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.22 -37.76 84.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 99' ' ' LEU . 2.2 mp -55.64 -65.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.2 p -56.67 -24.78 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -78.59 -25.86 45.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.5 mmm -69.15 125.68 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -99.41 -172.42 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' CE ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -56.78 -39.12 73.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.41 -53.53 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.11 -29.9 67.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.8 m-85 -82.74 -28.17 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD21 HD23 ' A' ' 89' ' ' LEU . 5.4 mt -62.98 -26.41 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -75.53 -27.94 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.7 -40.77 13.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -144.37 173.46 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 p -70.22 171.33 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.37 -40.95 94.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.11 -29.51 65.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.71 -35.89 14.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.562 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.8 m -57.07 -44.7 83.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -62.72 -29.25 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.77 -25.83 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.409 HD22 ' CH2' ' A' ' 49' ' ' TRP . 83.7 mt -85.96 -59.22 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -54.16 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -52.17 -31.92 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -75.07 -46.86 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 102' ' ' LEU . 1.5 mp -66.6 -26.31 67.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.7 t -88.28 -26.82 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -70.26 -41.96 72.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 99' ' ' LEU . 3.2 mt -61.29 -30.77 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.63 ' HA ' HD23 ' A' ' 107' ' ' LEU . 5.6 mt-10 -60.67 -26.28 66.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 t -75.24 -36.46 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -57.94 -26.59 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 104' ' ' GLU . 4.4 mm? -52.76 -29.2 25.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.65 -25.96 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.72 -40.72 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -60.22 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.28 -69.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.22 -173.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 t -102.88 142.58 33.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.77 169.7 18.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -111.14 80.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.06 158.58 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.79 146.57 43.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.98 130.52 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.01 -58.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -82.11 117.34 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.47 116.75 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.7 t 55.67 85.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.85 132.84 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.02 27.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 52.19 72.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.3 160.57 3.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 56.7 75.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -172.6 179.5 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 -31.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 62.71 -178.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -137.2 148.25 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.75 105.66 2.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.7 ttt -134.44 134.75 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -91.6 146.74 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.39 167.52 25.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.82 134.49 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.49 133.52 12.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -144.45 120.28 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -177.83 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.47 41.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.53 43.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -168.25 156.66 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.26 -179.02 22.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 167.73 23.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.71 168.6 21.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.73 167.76 69.79 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.32 -0.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.23 33.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 116.96 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -178.96 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.72 97.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -98.56 -37.59 9.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -142.81 177.69 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -156.79 50.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -156.5 59.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 -61.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -78.87 151.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.3 tt -102.71 -33.94 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.53 137.74 10.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.4 -72.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 160.61 38.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -15.04 36.92 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 p -78.09 -37.19 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 mt -96.69 43.91 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -94.69 155.18 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.5 p -102.61 -174.71 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -74.06 -28.75 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.21 -39.47 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -56.63 -27.35 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 42' ' ' THR . 45.4 t -78.12 -26.81 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -78.14 -49.83 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -52.85 -39.55 62.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 95' ' ' LEU . 72.0 t90 -73.78 -26.06 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 67' ' ' PHE . 0.8 OUTLIER -77.95 -54.38 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.16 -28.49 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -75.83 -57.53 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.5 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.87 -25.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.07 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -61.22 -26.31 67.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m 63.14 54.75 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.9 mt -75.1 -170.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -172.04 152.16 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.23 47.41 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -118.52 143.61 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.52 133.39 38.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -30.46 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -61.46 -32.87 72.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -27.43 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 50' ' ' LEU . 27.2 m-85 -113.69 26.6 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -71.98 -33.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -161.12 37.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -79.81 135.16 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.71 137.26 57.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.55 35.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -59.72 -33.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.59 -37.39 56.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -57.41 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -63.99 -23.68 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -27.5 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.6 mtp -61.21 114.68 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -94.0 -171.62 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -30.78 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.31 -53.62 7.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.41 -42.96 74.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.0 m-85 -71.45 -31.2 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -62.6 -26.68 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -78.29 -27.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.96 -36.25 15.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -147.57 173.11 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 p -70.52 170.76 11.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.61 -39.19 91.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.959 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.0 -36.73 65.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.446 ' OD1' HD22 ' A' ' 59' ' ' LEU . 91.2 m-20 -85.31 -38.71 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 83' ' ' PHE . 85.3 m -52.65 -42.35 64.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.79 -26.89 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.4 -25.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' CH2' ' A' ' 49' ' ' TRP . 42.8 mt -84.83 -55.99 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 tp -56.22 -51.72 67.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 t -53.48 -35.37 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -72.15 -56.5 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.59 -26.03 41.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -88.48 -26.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -70.96 -27.64 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.68 -58.11 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -27.37 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -30.58 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.9 p -56.97 -29.3 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -89.46 -27.87 20.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.58 -26.6 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 pp -82.64 -28.76 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.62 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.73 96.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.72 -43.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.02 166.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.58 176.81 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.5 -174.6 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.9 167.94 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.4 p -120.75 121.49 38.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.92 153.56 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.03 138.9 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.53 -171.88 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.7 t -152.26 132.13 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.93 42.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.24 35.77 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 m -70.15 117.04 11.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.3 p -130.06 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -138.16 -170.31 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.85 179.59 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.97 160.58 29.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -177.07 37.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.72 101.5 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.67 83.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -179.7 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -103.0 178.06 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.7 127.18 2.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.81 137.61 51.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -120.86 -174.73 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 169.2 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -167.87 -173.73 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.82 -172.06 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.96 130.46 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -139.29 163.81 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -171.05 140.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.68 -70.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 56.89 68.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -175.89 108.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.68 179.47 41.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 167.77 23.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.82 168.65 21.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.74 167.7 70.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.333 -0.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.66 4.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.63 167.88 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.6 ptm -102.53 -27.68 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -136.37 104.27 5.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.71 30.52 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 m120 58.8 -170.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -107.34 177.65 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 62.1 177.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -100.05 -68.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -176.47 132.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -115.0 -33.47 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.96 137.72 10.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.04 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 160.48 26.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -18.72 37.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 p -95.5 30.53 2.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -149.41 25.9 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -81.47 150.71 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -88.18 -173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -25.94 66.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.49 -47.81 9.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -52.02 -54.17 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 85.6 t -51.95 -30.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -81.21 -40.76 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -65.89 -47.85 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -52.21 -38.06 56.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.57 -59.97 3.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.46 -34.66 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.25 -52.24 59.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -53.07 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.25 -26.79 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.34 -26.31 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.14 57.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.7 mt -81.51 -177.1 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.45 133.74 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.48 97.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.1 tt -154.13 143.84 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.524 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -65.57 138.64 58.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -27.96 51.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -107.62 26.46 10.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -71.7 -28.84 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.89 74.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.428 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.2 ttp -125.45 144.94 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.15 136.57 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.02 -27.23 37.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -29.88 69.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.42 -33.71 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mp -54.52 -65.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.461 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -56.69 -24.76 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -78.55 -25.83 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mtm -64.2 134.01 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -87.24 -170.19 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -60.96 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.2 pt-20 -51.68 -37.7 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.38 -33.42 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 -32.12 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.763 HD21 HD23 ' A' ' 89' ' ' LEU . 7.0 mt -59.09 -25.1 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.79 -36.41 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' ASP . . . -81.76 -47.79 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -131.96 174.37 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.7 p -78.54 -177.29 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.763 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.02 -42.76 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 56.1 t80 -51.96 -30.15 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.596 ' OD1' HD22 ' A' ' 59' ' ' LEU . 7.6 m-20 -93.51 -38.41 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.8 m -52.06 -41.1 62.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.22 -26.2 61.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' TYR . 93.8 t -78.26 -30.92 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.39 -55.1 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 tp -51.99 -30.22 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -71.36 -57.34 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.518 ' HE1' HD21 ' A' ' 102' ' ' LEU . 49.8 t-80 -52.13 -31.06 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' CYS . 1.2 mp -62.33 -35.12 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 t -88.23 -26.83 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.518 HD21 ' HE1' ' A' ' 98' ' ' HIS . 3.1 mt -62.91 -26.58 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -75.9 -28.85 58.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -27.6 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -54.57 -27.78 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.39 -27.65 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.04 -26.76 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.68 -30.88 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.7 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.85 -60.15 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.33 170.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 m -82.73 -39.03 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.2 t -164.43 159.3 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.18 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.1 p -112.37 128.18 56.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.41 160.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.16 99.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.12 178.48 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 91.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.06 172.89 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.92 123.25 36.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.4 p -66.26 129.03 38.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.8 m -101.16 177.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.55 114.91 3.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.5 141.45 38.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.76 160.59 28.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -170.48 172.46 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -168.85 169.31 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.42 134.27 2.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -156.0 177.43 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.2 157.94 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 169.0 39.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -178.53 171.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -166.37 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.13 167.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -167.47 161.5 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.49 158.93 39.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -160.76 144.07 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mtp -109.62 168.16 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -142.92 -178.69 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.86 161.69 15.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.93 109.91 5.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -115.88 144.29 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.74 173.87 16.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.72 23.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.26 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.74 168.57 21.16 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.5 Cg_endo -69.8 167.75 70.06 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.321 -0.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.41 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.82 -170.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 ptp -173.59 179.66 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.28 97.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.35 70.36 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -150.13 124.65 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -166.02 106.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.631 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -117.31 26.26 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 56.38 26.14 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 30' ' ' ARG . 6.9 p -177.37 124.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -120.25 -33.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.85 137.72 10.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.34 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.7 160.6 37.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.11 37.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 p -78.76 -32.77 46.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -101.07 50.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -100.4 160.94 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.598 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -119.85 167.79 11.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -55.74 -27.38 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 42' ' ' THR . 0.8 OUTLIER -75.65 -26.99 58.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.598 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.0 m80 -86.72 -26.03 24.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 42' ' ' THR . 45.0 t -79.69 -28.85 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.21 -31.97 17.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.56 -47.75 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 99' ' ' LEU . 47.2 t90 -53.36 -40.09 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.11 -59.93 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.99 -26.54 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -75.85 -58.15 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.39 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.27 -26.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.34 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -61.61 -26.27 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.17 63.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.0 mt -88.21 -170.16 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -162.36 140.54 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 61.96 82.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -146.37 143.15 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.26 135.04 54.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 -36.19 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -67.36 -28.41 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -26.57 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -110.4 26.41 10.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -77.11 -31.66 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -154.15 67.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 tpp -116.74 144.61 44.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.73 136.42 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.18 -30.87 40.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.23 -32.5 64.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -35.27 80.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.469 HD11 HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -51.98 -56.8 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -23.56 67.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.79 -28.47 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.7 mtp -58.62 112.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.71 -170.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -64.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.0 pt-20 -52.0 -36.92 51.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.64 -32.39 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -93.89 -33.77 13.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 89' ' ' LEU . 8.5 mt -56.43 -25.68 51.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 -25.91 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.2 -46.11 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -135.96 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -77.36 -178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -68.61 -42.79 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 94' ' ' VAL . 68.6 t80 -52.1 -30.44 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.639 ' OD1' HD22 ' A' ' 59' ' ' LEU . 8.2 m-20 -93.51 -38.05 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -51.82 -41.76 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.65 -26.63 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 90' ' ' TYR . 94.1 t -78.11 -28.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.57 -55.4 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.4 tp -52.66 -57.59 9.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -52.11 -52.02 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -52.38 -46.55 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.1 mp -62.23 -26.03 68.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -26.67 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.34 -40.59 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.0 -39.99 60.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -58.28 -26.22 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -65.7 -30.64 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.8 m -94.08 -32.51 13.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 104' ' ' GLU . 1.1 mt -56.73 -24.46 49.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pp -78.94 -32.88 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.47 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -70.65 137.52 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.01 -171.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.6 p -135.11 138.62 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 174.38 10.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.43 96.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -96.54 179.99 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -126.58 171.37 11.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.87 158.23 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -146.79 157.67 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.41 157.47 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.14 153.24 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -25.14 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.15 88.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.9 m -88.03 142.88 27.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.64 144.81 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 169.85 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.61 116.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.71 160.57 76.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -98.78 113.38 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.49 122.21 47.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.56 107.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.86 145.46 31.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.05 116.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.35 169.63 29.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -116.45 155.81 27.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.85 -41.94 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.61 176.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -139.55 -50.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.26 160.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -151.4 135.36 16.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.93 165.84 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -163.86 151.81 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 122.84 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -120.76 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -110.74 175.69 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.36 172.82 23.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.71 23.7 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.1 Cg_endo -69.77 168.57 21.18 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.79 167.72 70.14 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.339 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.85 144.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -120.28 143.23 48.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.5 t -115.69 32.97 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 61.27 -177.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.38 -174.6 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -117.34 30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.5 77.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.78 136.88 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 tt -107.85 -31.11 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.95 137.71 11.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.16 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.28 160.52 47.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.72 37.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -82.84 -26.13 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.55 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -97.16 166.25 11.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 46' ' ' VAL . 34.1 p -113.2 -178.99 3.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.36 -26.87 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.31 18.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -56.58 -26.43 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 42' ' ' THR . 68.0 t -81.64 -25.42 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -54.09 -49.3 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -54.31 -41.46 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 HG22 ' A' ' 64' ' ' THR . 9.0 tp -60.92 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -30.55 43.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -70.08 -50.79 37.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.42 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.4 -24.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -61.61 -26.53 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.12 59.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.39 -171.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.08 142.05 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 58.22 89.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -152.28 138.72 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.33 133.72 45.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.472 HG22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -108.41 -28.91 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -68.18 -30.02 69.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.94 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -109.25 32.91 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -28.7 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -148.88 26.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 tpp -76.72 132.26 39.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.07 137.52 56.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.75 -33.55 49.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -26.94 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.23 -34.82 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.5 mp -53.1 -60.3 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.2 -26.6 68.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.2 133.63 55.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.88 -171.18 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -34.49 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.36 -49.6 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.09 -35.38 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CB ' HG23 ' A' ' 92' ' ' THR . 8.2 m-85 -80.83 -26.88 36.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.742 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.1 -28.94 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -74.05 -27.16 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 -43.82 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -138.78 172.39 12.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.4 p -70.06 172.83 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.742 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -66.33 -41.56 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -55.85 -36.22 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -84.51 -39.29 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.548 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.5 m -54.59 -41.91 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.98 -27.15 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.02 -37.02 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.7 -57.31 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -47.99 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.28 -48.98 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.97 -48.03 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 75' ' ' LEU . 2.0 mp -63.58 -26.11 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -85.25 -26.69 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -58.66 -37.57 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.94 -26.2 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -28.89 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.76 -33.3 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 p -63.87 -28.78 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.59 -28.55 24.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.76 -26.23 44.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -82.35 -26.76 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.45 -37.1 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.67 -175.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 60.79 97.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.3 p -57.21 179.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.3 m -58.91 120.16 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 p -152.18 -176.4 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -138.42 159.38 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.7 156.96 24.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -140.47 143.07 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 m -152.3 163.28 39.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.2 -178.36 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -97.19 -170.42 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.7 88.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 m -131.72 -175.07 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 39.2 t 60.9 80.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -95.11 77.66 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 174.74 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.67 160.57 47.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.331 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.863 0.363 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.24 137.68 10.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.31 160.55 35.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -80.48 -27.69 37.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -106.43 50.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -99.0 165.23 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 30.5 p -112.82 179.17 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -26.69 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.95 -45.07 17.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -55.84 -26.48 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' THR . 64.8 t -78.81 -26.37 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -55.65 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.14 -41.04 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.534 ' CH2' HD22 ' A' ' 95' ' ' LEU . 35.1 t90 -57.79 -52.75 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.31 -53.95 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.59 -26.88 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.73 -54.61 5.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.57 -49.71 67.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.0 mt -55.8 -26.02 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.98 -60.0 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.37 -64.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -61.8 -26.33 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m 62.95 58.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.696 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -78.5 -171.4 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -160.08 134.13 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 62.56 81.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -138.64 142.11 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 133.87 48.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 -33.94 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 p -58.09 -28.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.91 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -108.17 29.6 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.82 -33.61 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -161.0 46.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -88.03 140.13 29.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 137.24 56.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.02 40.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -37.84 77.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -35.78 76.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.93 -27.54 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 m -79.49 -41.89 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.04 -27.34 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mmm -60.71 126.45 27.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.51 -176.12 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -31.63 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -76.98 -54.84 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -54.95 -42.09 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.4 m-85 -71.38 -31.95 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.589 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.78 -31.84 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -71.88 -26.65 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.36 -42.67 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -143.02 172.92 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 p -67.9 171.51 6.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.589 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.45 -43.75 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.2 t80 -53.87 -38.56 64.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.696 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.4 m-20 -79.42 -39.01 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.521 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.4 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.26 -27.06 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 90' ' ' TYR . 74.8 t -79.71 -25.36 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 ' CH2' ' A' ' 49' ' ' TRP . 28.4 mt -89.09 -57.88 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -52.01 -42.22 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -62.26 -43.01 99.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.23 -46.63 79.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.97 -25.82 67.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 p -87.13 -26.51 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -66.9 -42.77 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.911 0.386 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -152.65 137.73 11.11 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.617 0.722 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.22 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.76 160.57 34.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -83.41 -27.96 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.67 46.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -95.77 164.57 12.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.3 p -112.43 -173.22 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -75.19 -27.88 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.72 -32.58 35.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -69.65 -27.21 64.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 42' ' ' THR . 78.8 t -79.62 -27.47 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -54.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -52.13 -49.24 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -52.04 -45.64 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 67' ' ' PHE . 2.9 tp -64.73 -54.87 24.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -55.37 -31.27 61.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -76.4 -49.22 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.29 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.25 -25.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -55.38 -64.55 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.4 -26.37 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m 63.22 57.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -75.33 176.51 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.9 mtm -144.26 133.27 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 58.25 94.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -150.12 136.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.54 133.86 54.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -34.7 5.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.5 p -56.74 -26.8 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -26.73 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.438 ' HB2' HD22 ' A' ' 50' ' ' LEU . 29.8 m-85 -112.1 26.81 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -87.35 -31.74 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -155.65 46.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ttp -100.45 134.21 43.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.6 137.66 56.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.72 -37.64 51.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -58.72 -26.19 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.03 -32.38 30.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.05 -50.09 74.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.9 p -70.77 -29.55 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -66.99 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmm -60.87 143.77 54.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.65 -175.04 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -55.81 -30.12 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.85 -53.28 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.2 -40.68 67.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -72.92 -30.87 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.16 -28.76 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.69 -43.12 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -139.28 173.06 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.0 p -69.11 177.63 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.75 -42.23 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -56.14 -34.66 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.467 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.8 m-20 -80.83 -42.99 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -55.46 -36.33 66.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.45 -26.99 65.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.7 t -82.91 -26.43 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.79 -57.92 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.03 -47.46 71.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.4 t -54.96 -42.59 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -65.82 -49.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.95 -26.11 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 t -89.33 -26.59 21.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.805 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -75.25 -26.52 58.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 34' ' ' VAL . 87.9 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.857 0.36 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.9 137.72 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.86 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.87 160.52 60.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.27 37.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.7 p -81.15 -29.62 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.13 46.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -94.3 166.11 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -110.21 -172.75 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.86 -26.0 56.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -42.25 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -55.9 -26.52 47.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 42' ' ' THR . 88.8 t -81.22 -25.98 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -55.4 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.49 -49.94 66.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -52.86 -43.8 66.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.529 HD23 HG22 ' A' ' 64' ' ' THR . 11.6 tp -61.09 -57.53 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.58 -27.46 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -74.23 -49.75 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.06 -25.26 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -62.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.25 -64.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -62.96 -26.35 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 63.19 57.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.708 HD22 ' OD1' ' A' ' 91' ' ' ASN . 26.0 mt -74.34 -177.17 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 132.49 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 57.84 92.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.8 tt -150.46 139.22 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.45 133.74 51.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.529 HG22 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -115.6 -28.59 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -29.36 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -27.6 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.87 28.15 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -134.55 28.73 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.09 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.91 137.43 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.88 43.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.44 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.11 -34.74 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.03 -57.41 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 31.7 p -65.87 -26.6 67.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.41 151.41 47.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.24 -176.87 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -31.9 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.06 -51.05 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.74 -39.61 81.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.613 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.6 m-85 -73.31 -32.84 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.678 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -58.45 -30.07 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -74.73 -26.45 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.02 17.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -150.6 173.65 13.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.1 p -68.2 172.06 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.678 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.44 -44.03 92.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 94' ' ' VAL . 64.3 t80 -54.51 -37.7 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.708 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -82.16 -36.8 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.2 m -57.63 -38.91 75.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.36 -30.5 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 90' ' ' TYR . 58.3 t -72.62 -25.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.3 mt -88.63 -57.92 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -50.27 61.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.2 t -52.72 -53.05 53.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.44 -48.99 77.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.79 -26.12 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -85.54 -26.73 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.17 -40.44 89.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.5 137.75 10.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.694 0.759 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.242 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.32 160.71 49.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.99 29.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.3 p -82.44 -32.6 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.64 42.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -94.62 155.97 16.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -115.18 167.72 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -30.92 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.02 -32.08 71.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.435 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.4 m80 -83.04 -42.94 16.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' THR . 46.6 t -56.57 -27.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.47 -54.84 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.2 -48.57 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.17 -45.79 65.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.87 -58.73 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.41 -30.37 39.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -74.59 -51.5 14.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.39 -51.22 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.03 -25.29 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -84.14 -63.29 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.87 -64.28 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -61.55 -26.11 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m 63.1 60.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.23 -170.4 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptp -158.22 134.09 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 61.69 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.12 137.79 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.36 133.74 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.47 -28.18 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -32.1 58.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -30.64 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -100.99 26.3 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -79.06 -33.23 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -161.08 44.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 ttp -90.78 133.69 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -65.66 138.08 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.12 -28.58 42.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.42 95.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HB3' HD21 ' A' ' 99' ' ' LEU . 4.9 mp -52.26 -33.9 43.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.1 m -76.67 -41.21 46.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -59.04 -28.77 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmm -69.99 131.76 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -111.36 -171.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.68 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -80.34 -53.48 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -56.45 -33.92 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.56 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.2 m-85 -79.9 -28.64 39.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.611 HD21 HD23 ' A' ' 89' ' ' LEU . 4.9 mt -62.46 -26.88 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -74.66 -27.88 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.35 -43.11 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -140.91 172.4 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -70.6 166.54 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.611 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -60.62 -40.82 93.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.99 -30.02 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.25 -37.36 12.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 83' ' ' PHE . 88.9 m -52.64 -42.01 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.62 -29.16 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -74.28 -27.06 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.81 -55.36 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -52.67 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -55.29 -34.72 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -71.39 -39.12 71.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.7 mp -72.86 -27.95 62.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -88.28 -27.61 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -64.17 -42.83 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.862 0.363 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.8 137.74 10.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -72.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.13 160.6 38.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.45 36.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.7 p -82.87 -26.56 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -106.65 48.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -97.0 159.71 14.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -112.04 172.34 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -61.87 -27.15 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -78.47 -29.59 46.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -77.97 -26.05 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 75' ' ' LEU . 92.3 t -83.94 -25.98 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -90.31 -31.6 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.29 -50.96 11.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.443 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 46.3 t90 -52.47 -39.76 61.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.64 -68.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -35.71 53.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.88 -56.02 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.48 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.02 -25.24 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -62.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -54.48 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -61.69 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 t 63.21 57.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.1 mt -77.86 -170.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.04 144.88 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 59.39 81.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -147.05 141.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.91 133.38 36.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -31.24 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -30.52 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.24 -28.06 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -107.4 26.32 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -73.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -117.07 26.41 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.498 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.4 ttm -61.88 129.44 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.04 137.21 56.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.98 44.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -27.1 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.77 -27.5 61.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -55.84 -57.35 12.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.51 -26.57 67.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -69.5 -37.06 77.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmm -57.34 134.03 55.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -105.55 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.506 ' CE ' HD11 ' A' ' 89' ' ' LEU . 2.9 tptt -55.3 -28.91 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.45 -56.35 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.83 -35.97 58.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.9 m-85 -77.86 -35.17 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 89' ' ' LEU . 4.8 mt -56.68 -31.44 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -26.28 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.03 -40.19 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -146.27 172.39 13.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 p -70.8 159.11 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -53.87 -40.57 66.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -54.4 -30.46 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 59' ' ' LEU . 44.6 m-20 -91.51 -37.53 13.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.417 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.8 m -55.58 -32.66 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.99 -26.58 59.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.87 -28.05 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.38 -59.63 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.37 -48.44 65.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -54.11 -48.41 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -61.74 -45.36 94.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.561 HD21 HD23 ' A' ' 75' ' ' LEU . 1.3 mp -63.65 -26.59 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.9 t -87.29 -26.69 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.49 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.898 0.38 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.7 137.72 11.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.3 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.15 160.57 35.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.15 37.8 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -78.26 -32.01 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.48 49.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -99.63 160.88 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.59 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.4 t -118.81 168.45 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -55.73 -26.38 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 42' ' ' THR . 0.6 OUTLIER -75.54 -27.93 58.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.59 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.6 m80 -87.39 -28.74 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 42' ' ' THR . 41.6 t -71.98 -30.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -89.72 -47.92 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -57.94 -49.01 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -52.32 -55.96 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 67' ' ' PHE . 7.8 tp -55.11 -56.78 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.4 -31.5 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -76.6 -44.65 33.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.93 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.67 -29.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.85 -65.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -61.8 -26.32 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t 63.04 52.63 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.714 HD22 ' OD1' ' A' ' 91' ' ' ASN . 27.1 mt -68.69 -170.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -154.13 123.83 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 62.3 93.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -145.54 137.22 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 133.64 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -35.27 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -55.84 -27.59 52.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -26.56 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 50' ' ' LEU . 27.6 m-85 -110.84 26.35 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.46 -32.08 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -156.9 55.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.79 139.25 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.76 137.38 57.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.24 -26.76 29.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -31.72 70.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.92 -37.86 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.18 -31.05 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 m -76.1 -42.19 47.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.42 -30.53 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtp -62.4 112.4 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -171.91 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -31.67 44.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.24 -53.96 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -52.39 -44.9 65.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.3 m-85 -70.63 -34.09 71.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 89' ' ' LEU . 3.6 mt -57.57 -26.78 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -74.34 -32.75 62.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.84 -42.64 17.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -142.09 173.46 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -70.78 171.96 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.34 -41.29 96.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -56.64 -30.92 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.714 ' OD1' HD22 ' A' ' 59' ' ' LEU . 32.0 m-20 -89.35 -37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.486 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.5 m -58.24 -33.32 69.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.93 -27.91 62.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.87 -25.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -86.68 -58.22 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.7 tp -52.7 -52.85 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 t -54.33 -35.16 62.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.69 -49.85 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -26.76 68.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.9 t -85.77 -28.1 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.67 -38.43 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.867 0.365 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -155.03 137.73 10.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.177 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -74.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -117.68 160.6 37.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -78.59 -32.41 47.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.87 52.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -102.06 164.92 11.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.572 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -123.87 168.55 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -56.19 -25.89 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 42' ' ' THR . 0.9 OUTLIER -76.6 -26.14 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.572 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.3 m80 -88.94 -28.05 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 42' ' ' THR . 43.5 t -76.38 -27.62 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -90.2 -49.42 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.4 -49.28 77.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -52.86 -50.48 63.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.7 -55.88 29.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -52.66 -47.99 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.56 -46.18 91.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.56 -54.15 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.77 -25.77 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.34 -60.85 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -61.96 -26.31 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t 63.16 59.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' OD1' ' A' ' 91' ' ' ASN . 16.7 mt -85.86 -175.85 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -160.61 157.46 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 54.27 64.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 tt -130.77 150.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.15 133.98 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -28.04 68.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.91 30.86 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.33 -74.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.93 33.0 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.32 133.64 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.61 138.11 57.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.74 -34.43 44.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -28.34 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -36.82 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.15 -26.57 39.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.55 -47.94 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -57.53 -27.97 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -65.47 128.64 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -103.22 -173.72 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HE2' HD11 ' A' ' 89' ' ' LEU . 1.2 tptt -61.79 -33.41 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 mt-10 -72.41 -41.27 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.02 -51.56 63.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CB ' HG23 ' A' ' 92' ' ' THR . 10.7 m-85 -60.36 -31.74 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 89' ' ' LEU . 6.6 mt -60.27 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.46 -30.48 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.69 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -161.05 171.89 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.7 p -68.88 160.05 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.9 tp -54.81 -40.42 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 94' ' ' VAL . 47.4 t80 -52.72 -33.92 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.489 ' OD1' HD22 ' A' ' 59' ' ' LEU . 53.2 m-20 -87.87 -35.26 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.498 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.6 m -62.0 -42.51 99.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.52 -31.0 72.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 90' ' ' TYR . 68.9 t -78.87 -42.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.88 -59.12 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.61 -44.32 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.5 t -52.77 -61.34 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.08 -27.37 53.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.73 62.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.23 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.09 -32.86 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 34' ' ' VAL . 67.5 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.0 137.73 10.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.35 -70.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.87 160.63 43.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -15.23 36.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -77.64 -33.56 53.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.24 53.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -102.34 158.46 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.9 t -116.93 168.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -56.02 -30.73 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' H ' HG23 ' A' ' 42' ' ' THR . 8.1 tp10 -72.57 -26.89 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 42' ' ' THR . 19.1 m80 -86.07 -26.34 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.431 HG12 ' HB3' ' A' ' 67' ' ' PHE . 73.2 t -76.17 -25.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -56.92 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.42 -46.78 66.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -52.2 -47.13 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 64' ' ' THR . 11.3 tp -52.17 -49.78 63.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.53 -26.52 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -71.8 -60.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.82 -51.59 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CD1' HG21 ' A' ' 62' ' ' ILE . 62.9 mt -57.52 -25.37 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -64.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.26 -63.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -62.46 -26.32 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.02 63.35 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.7 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.2 mt -86.49 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptp -155.73 140.72 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 58.64 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 54' ' ' ILE . 9.3 tt -154.25 143.06 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 142.43 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.485 HG22 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -118.15 -28.98 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -27.76 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' HB3' HG12 ' A' ' 46' ' ' VAL . 16.5 m-85 -106.22 27.28 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -73.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -125.13 38.2 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 tpp -72.58 135.79 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.45 137.37 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.86 -43.12 60.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -63.07 -27.05 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp -52.09 -34.24 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.12 -51.67 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -56.99 -26.02 59.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -53.63 124.72 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -94.41 -170.52 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -61.39 -60.17 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.8 pt-20 -51.9 -37.8 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -32.01 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -94.09 -34.47 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD21 HD23 ' A' ' 89' ' ' LEU . 7.5 mt -56.08 -25.58 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -75.88 -26.26 56.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.72 -46.95 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.431 HG21 ' HB3' ' A' ' 91' ' ' ASN . 14.5 t -136.04 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -73.18 -179.44 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.77 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -68.47 -43.61 76.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.515 ' O ' HG23 ' A' ' 94' ' ' VAL . 54.8 t80 -52.05 -30.03 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.7 ' OD1' HD22 ' A' ' 59' ' ' LEU . 27.3 m-20 -93.54 -37.85 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.6 m -52.14 -47.29 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.3 -26.38 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 90' ' ' TYR . 91.7 t -74.99 -27.1 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.47 -57.58 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -61.13 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t -52.07 -52.91 48.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.76 -42.6 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -66.14 -25.88 67.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.5 p -86.31 -26.74 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.79 -37.27 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.959 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.22 137.69 10.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.87 160.65 36.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -14.7 36.2 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -79.22 -30.82 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.13 53.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -102.33 165.8 10.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.575 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.2 t -124.71 168.57 13.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.92 -26.38 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.98 -26.85 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.7 m80 -88.67 -27.62 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 70' ' ' MET . 60.4 t -74.39 -28.53 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -50.01 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -56.89 -48.63 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -52.82 -46.04 67.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.446 HD23 HG22 ' A' ' 64' ' ' THR . 5.1 tp -60.6 -51.39 69.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.84 -26.8 66.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -80.17 -41.82 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.42 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.95 -25.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -62.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -63.49 -26.32 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m 62.98 59.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.2 mt -78.5 -170.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.1 ptp -156.39 137.56 13.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.97 94.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -156.34 138.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.73 137.44 42.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 HD23 ' A' ' 50' ' ' LEU . 1.5 p -108.71 -33.09 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -26.77 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -26.99 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' HB2' HD22 ' A' ' 50' ' ' LEU . 26.9 m-85 -113.46 26.4 10.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -84.21 -32.15 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.75 35.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.0 ttp -86.62 131.0 34.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -65.64 138.08 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.14 -30.36 38.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.83 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.38 -34.69 58.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.25 -27.22 54.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.24 -49.57 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -57.66 -26.87 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 mmm -60.72 126.6 28.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -109.53 -176.05 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.1 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.67 -50.79 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.03 -45.43 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.587 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.1 m-85 -69.43 -27.86 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 89' ' ' LEU . 4.6 mt -63.0 -27.49 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -77.32 -27.21 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.4 -32.19 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -153.98 172.62 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 p -68.48 171.44 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.08 -40.94 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.6 t80 -56.24 -37.08 69.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.541 ' OD1' HD22 ' A' ' 59' ' ' LEU . 83.0 m-20 -82.86 -36.98 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.0 m -56.87 -39.44 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.68 -28.9 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' TYR . 72.9 t -77.08 -26.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.77 -55.63 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.4 tp -54.59 -52.72 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.5 t -52.94 -40.42 63.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -65.55 -44.99 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.12 -26.01 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -26.61 25.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.75 -42.13 96.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 tt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.353 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.68 10.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.388 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.97 160.62 31.6 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -16.32 37.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 p -98.25 24.91 6.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -150.75 28.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -78.93 170.86 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.8 p -116.47 -173.57 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.5 -26.76 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.7 -44.65 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -56.19 -26.04 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 75' ' ' LEU . 61.0 t -78.06 -28.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -52.98 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.48 -49.15 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -54.71 -44.91 73.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.8 -58.91 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.96 -38.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -68.73 -46.67 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.47 57.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.62 -26.05 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -61.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.27 -62.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -61.99 -26.39 68.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t 62.86 56.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.689 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.1 mt -78.02 -176.61 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.03 140.11 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 60.32 82.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.23 139.68 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.83 133.78 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -27.84 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.46 -31.41 71.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.97 28.67 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.49 -68.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 27.77 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.1 ttm -63.23 134.11 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.04 137.67 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.35 -44.36 58.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -64.12 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.62 -30.15 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.749 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -53.8 -56.28 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.56 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.09 130.47 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -96.17 -176.93 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.11 69.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.4 mt-10 -69.99 -37.07 75.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.87 -51.67 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.541 ' CB ' HG23 ' A' ' 92' ' ' THR . 12.3 m-85 -62.49 -26.54 68.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.737 HD21 HD23 ' A' ' 89' ' ' LEU . 6.2 mt -61.65 -32.06 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.26 -42.07 12.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -143.75 173.72 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -69.9 169.08 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.737 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -62.97 -38.95 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.95 -32.59 67.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.689 ' OD1' HD22 ' A' ' 59' ' ' LEU . 25.1 m-20 -87.34 -40.52 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.541 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.4 m -53.85 -39.0 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.59 -26.67 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.66 -25.38 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 mt -85.7 -59.86 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -47.35 65.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 t -52.74 -56.95 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.84 -32.9 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.749 HD21 HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -72.58 -26.6 61.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.4 t -88.1 -30.58 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -53.9 -29.65 42.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.964 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.861 0.362 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.32 137.74 10.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.87 160.56 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.16 34.27 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 p -82.81 -25.63 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.25 50.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -102.33 160.15 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -121.91 170.11 10.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -54.71 -28.08 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' THR . 2.0 tt0 -73.56 -30.19 62.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' ND1' HG22 ' A' ' 42' ' ' THR . 29.8 m80 -86.71 -26.96 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 42' ' ' THR . 59.4 t -73.6 -28.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.35 -55.2 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -52.37 -49.16 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.27 -47.02 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.7 -52.5 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.36 -26.76 53.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -74.34 -51.12 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 57' ' ' TYR . . . -60.08 -47.94 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.48 -25.16 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -89.64 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.512 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 19.2 m-85 -63.34 -26.57 68.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t 63.06 57.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' OD1' ' A' ' 91' ' ' ASN . 18.6 mt -73.07 -170.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.07 131.67 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 59.08 94.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.5 tt -146.8 140.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.4 133.44 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -36.05 6.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 p -57.35 -26.89 61.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -26.4 63.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' HB3' HG12 ' A' ' 46' ' ' VAL . 27.4 m-85 -114.72 26.51 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.13 -31.11 25.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -155.48 41.11 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 46' ' ' VAL . 1.1 ttp -89.75 134.27 34.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.37 136.32 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.67 -30.93 36.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -39.26 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.32 -36.26 83.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HB3' HD21 ' A' ' 99' ' ' LEU . 3.0 mp -53.2 -28.77 28.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 m -82.33 -48.4 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -57.5 -26.93 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -68.56 130.27 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -110.61 -175.0 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -30.18 28.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -63.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.523 ' HB3' HG23 ' A' ' 92' ' ' THR . 4.1 m-85 -79.61 -32.74 41.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.25 -28.45 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -75.23 -26.23 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.07 -36.89 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.03 173.49 12.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.7 p -68.46 177.17 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -67.48 -43.91 79.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -52.25 -48.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.672 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -69.66 -44.0 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 83' ' ' PHE . 93.6 m -54.29 -33.66 59.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.45 -28.82 66.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.3 t -82.64 -43.02 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.66 -57.94 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -52.31 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 t -52.17 -55.3 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -52.34 -50.9 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.8 mp -58.37 -26.09 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 m -86.47 -26.57 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.93 -37.28 86.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.86 0.362 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.01 137.71 10.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 -48.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.34 160.55 45.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -16.64 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.86 56.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -102.98 165.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.641 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.03 167.1 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.01 -28.18 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -74.52 -28.14 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.641 ' ND1' HG22 ' A' ' 42' ' ' THR . 24.1 m80 -86.8 -28.22 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 59.3 t -73.31 -28.29 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.48 -51.75 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.08 -48.01 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 44.1 t90 -53.83 -46.9 71.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.28 -59.21 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.95 -32.39 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -73.09 -48.55 34.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.23 -25.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.92 -65.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -62.24 -26.54 68.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t 63.14 54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.4 mt -71.69 -171.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -157.76 134.59 9.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 63.18 85.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -146.74 139.79 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 134.18 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.74 -30.12 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -26.69 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -27.98 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -109.36 32.07 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.14 -28.01 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -152.0 26.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 tpp -76.57 135.12 39.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.4 137.59 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.89 -33.97 44.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.04 -27.22 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.34 -35.28 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.4 HD23 HD21 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.5 -48.2 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.15 -27.85 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -71.64 -33.07 68.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.6 mtp -52.49 117.12 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -90.35 -170.92 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -33.12 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -76.79 -43.02 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -56.13 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.438 ' CB ' HG23 ' A' ' 92' ' ' THR . 6.4 m-85 -58.7 -32.7 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 89' ' ' LEU . 6.1 mt -58.25 -31.0 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -73.61 -28.18 61.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.08 -38.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.97 173.06 13.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -70.06 168.74 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.593 HD23 HD21 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -61.56 -41.32 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -52.92 -42.56 65.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.513 ' OD1' HD22 ' A' ' 59' ' ' LEU . 89.9 m-20 -79.46 -39.6 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' CB ' ' A' ' 83' ' ' PHE . 89.8 m -52.3 -38.96 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.59 -30.41 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.6 -27.7 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.02 -54.12 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.28 -41.34 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.6 t -60.86 -39.59 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -69.37 -44.76 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.458 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 2.2 mp -68.3 -26.36 65.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 m -87.24 -28.32 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.84 -32.05 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.73 10.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.153 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.21 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 160.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.55 37.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -75.83 -36.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -101.51 53.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -101.09 166.73 10.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.631 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.18 168.57 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -56.75 -27.34 59.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.34 -27.92 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.631 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.3 m80 -86.68 -27.0 24.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 42' ' ' THR . 55.9 t -74.73 -29.26 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -90.26 -50.0 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -55.85 -49.24 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.05 -49.04 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.61 -49.18 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.88 -26.72 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -77.71 -58.16 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -53.15 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.0 mt -55.6 -25.66 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -83.5 -60.08 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -61.3 -26.28 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m 63.0 55.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.7 mt -80.68 -171.99 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -163.33 147.94 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 63.22 67.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 tt -132.78 146.13 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 136.46 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 -34.18 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -60.99 -26.69 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -27.42 62.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -112.09 26.65 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.07 -27.85 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -158.06 49.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -102.09 142.86 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.27 137.46 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.8 49.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -66.35 -29.28 69.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.95 -34.48 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -53.06 -43.68 66.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.52 -42.72 67.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.78 -32.91 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.05 126.99 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -103.42 -173.54 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.06 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.28 -51.76 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.65 -40.86 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.4 m-85 -75.76 -28.9 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 89' ' ' LEU . 4.3 mt -61.92 -26.3 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -75.37 -26.38 58.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.42 -41.44 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -139.36 173.13 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.0 p -71.24 172.55 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -66.76 -40.63 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 94' ' ' VAL . 44.8 t80 -57.51 -34.97 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 59' ' ' LEU . 68.7 m-20 -84.12 -41.08 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.4 m -54.32 -36.63 63.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.43 -27.08 63.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 90' ' ' TYR . 55.9 t -80.12 -38.18 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.79 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.52 -50.55 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -54.9 -46.34 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.71 -51.43 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.7 -26.0 42.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -89.64 -26.59 20.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.0 -27.2 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.64 137.73 11.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.24 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.91 160.59 38.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.99 37.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 p -81.62 -25.84 35.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.69 49.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -97.93 163.01 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 46' ' ' VAL . 38.3 p -108.26 -173.14 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.37 -29.71 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.85 -41.33 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -58.14 -27.09 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 42' ' ' THR . 60.1 t -79.04 -25.74 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -52.48 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -53.22 -47.48 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CH2' HD13 ' A' ' 99' ' ' LEU . 33.9 t90 -52.09 -54.77 26.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.1 tp -54.47 -49.28 70.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.21 -26.85 66.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -80.69 -46.7 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.51 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.57 -25.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -62.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.27 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -61.47 -26.34 67.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 t 62.66 54.41 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -176.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.63 130.28 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 63.05 97.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.6 tt -154.48 137.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.74 133.39 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -33.76 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -26.8 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -26.81 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' HB2' HD22 ' A' ' 50' ' ' LEU . 32.2 m-85 -111.83 27.42 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -88.95 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -155.35 56.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.6 ttp -110.55 141.44 43.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 137.62 54.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -42.07 55.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -33.8 72.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -39.31 93.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.82 -31.17 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.7 m -75.88 -42.07 50.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.93 -28.34 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.4 mtp -62.53 113.43 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -91.68 179.18 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -30.75 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.09 -51.44 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -53.18 -45.13 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.1 m-85 -68.2 -36.13 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 89' ' ' LEU . 9.1 mt -60.15 -29.73 68.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -73.46 -26.22 60.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.59 -42.77 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -141.5 173.27 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -71.83 161.74 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.2 tp -57.85 -40.36 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -52.39 -34.94 50.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.87 -41.21 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.459 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -57.0 -42.72 80.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.52 -30.11 71.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.03 -25.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 92' ' ' THR . 10.8 mt -84.9 -59.9 2.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.27 -45.08 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -59.23 -48.03 83.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -59.03 -53.21 60.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.45 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.3 mp -56.87 -26.2 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -86.92 -26.72 23.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.24 -36.8 85.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.11 137.67 10.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.47 160.6 45.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -78.46 -31.71 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -104.63 52.39 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -101.33 163.21 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.551 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.2 t -122.27 169.63 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.13 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' H ' HG23 ' A' ' 42' ' ' THR . 2.4 tt0 -75.43 -26.78 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.551 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.6 m80 -88.97 -26.37 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' THR . 61.9 t -76.48 -29.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttp85 -89.59 -47.74 7.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -59.11 -49.66 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -52.3 -49.93 63.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -51.41 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.36 -29.92 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -77.64 -53.43 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.93 -51.45 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.4 -25.47 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -63.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.16 73.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.665 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.6 mt -98.91 137.37 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -114.29 -15.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -118.67 68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.2 tt -145.07 143.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.67 135.06 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -28.04 11.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -34.27 77.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.24 -28.44 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -107.25 31.01 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -69.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.7 56.3 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 tpp -95.62 144.1 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.36 137.68 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -37.73 47.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -28.65 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.49 -36.58 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.2 mp -52.72 -53.42 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.4 p -69.36 -26.98 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.38 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.95 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -108.74 -178.45 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 89' ' ' LEU . 21.9 tttt -52.03 -33.93 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -73.18 -52.79 12.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -54.89 -38.81 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CB ' HG23 ' A' ' 92' ' ' THR . 9.2 m-85 -74.98 -31.49 61.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -60.89 -27.85 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -73.95 -31.06 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.42 -40.72 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -144.58 173.49 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.3 p -69.73 173.28 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -64.91 -43.43 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.555 ' O ' HG23 ' A' ' 94' ' ' VAL . 75.0 t80 -53.22 -31.93 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.665 ' OD1' HD22 ' A' ' 59' ' ' LEU . 36.7 m-20 -90.02 -39.66 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -52.64 -39.42 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.7 -26.71 61.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 90' ' ' TYR . 85.4 t -77.71 -25.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.03 -57.86 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -50.69 63.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.7 t -53.86 -41.02 67.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -65.68 -43.63 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.5 mp -68.19 -26.01 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -26.82 22.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -67.71 -34.36 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.875 0.369 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.61 137.68 10.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.645 0.736 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 160.59 37.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.14 37.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.1 p -78.01 -34.82 50.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.41 50.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -99.72 162.38 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.614 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.9 t -120.48 169.48 10.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.54 -26.94 56.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' H ' HG23 ' A' ' 42' ' ' THR . 5.5 tt0 -75.63 -26.22 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.614 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.4 m80 -89.59 -27.27 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' THR . 61.8 t -74.34 -29.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -89.25 -49.5 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -56.44 -49.54 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CH2' HD22 ' A' ' 95' ' ' LEU . 43.6 t90 -52.05 -45.26 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.3 tp -62.09 -53.49 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.54 -33.77 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.38 -44.5 58.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.87 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.99 -26.02 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.95 -64.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -52.51 -64.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -61.42 -26.39 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t 63.08 61.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.34 -170.25 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.4 ptp -157.86 137.02 11.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.57 93.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -151.04 136.81 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.66 133.53 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 -35.65 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -26.74 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -27.06 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' HB2' HD22 ' A' ' 50' ' ' LEU . 30.7 m-85 -113.06 26.42 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -85.53 -31.49 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -157.83 43.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 ttp -91.32 140.5 29.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.69 136.19 55.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.49 -30.81 34.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -33.73 75.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.22 -37.76 84.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 99' ' ' LEU . 2.2 mp -55.64 -65.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.2 p -56.67 -24.78 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -78.59 -25.86 45.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.5 mmm -69.15 125.68 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.41 -172.42 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' CE ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -56.78 -39.12 73.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.41 -53.53 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.11 -29.9 67.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.8 m-85 -82.74 -28.17 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD21 HD23 ' A' ' 89' ' ' LEU . 5.4 mt -62.98 -26.41 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -75.53 -27.94 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.7 -40.77 13.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -144.37 173.46 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 p -70.22 171.33 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.618 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.37 -40.95 94.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.11 -29.51 65.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.71 -35.89 14.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.562 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.8 m -57.07 -44.7 83.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -62.72 -29.25 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.77 -25.83 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.409 HD22 ' CH2' ' A' ' 49' ' ' TRP . 83.7 mt -85.96 -59.22 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -54.16 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -52.17 -31.92 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -75.07 -46.86 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 102' ' ' LEU . 1.5 mp -66.6 -26.31 67.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.7 t -88.28 -26.82 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -70.26 -41.96 72.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 99' ' ' LEU . 3.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.3 tt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.861 0.362 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.53 137.74 10.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.4 -72.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 160.61 38.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -15.04 36.92 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 p -78.09 -37.19 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 mt -96.69 43.91 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -94.69 155.18 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.5 p -102.61 -174.71 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -74.06 -28.75 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.21 -39.47 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -56.63 -27.35 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 42' ' ' THR . 45.4 t -78.12 -26.81 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -78.14 -49.83 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -52.85 -39.55 62.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 95' ' ' LEU . 72.0 t90 -73.78 -26.06 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 67' ' ' PHE . 0.8 OUTLIER -77.95 -54.38 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.16 -28.49 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -75.83 -57.53 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.5 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.87 -25.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.07 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -61.22 -26.31 67.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m 63.14 54.75 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.9 mt -75.1 -170.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -172.04 152.16 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.23 47.41 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -118.52 143.61 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.52 133.39 38.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -30.46 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -61.46 -32.87 72.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -27.43 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 50' ' ' LEU . 27.2 m-85 -113.69 26.6 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -71.98 -33.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -161.12 37.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -79.81 135.16 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.71 137.26 57.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.55 35.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -59.72 -33.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.59 -37.39 56.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -57.41 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -63.99 -23.68 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -27.5 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.6 mtp -61.21 114.68 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -94.0 -171.62 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -30.78 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.31 -53.62 7.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.41 -42.96 74.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.0 m-85 -71.45 -31.2 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -62.6 -26.68 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -78.29 -27.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.96 -36.25 15.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -147.57 173.11 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 p -70.52 170.76 11.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.61 -39.19 91.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.959 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.0 -36.73 65.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.446 ' OD1' HD22 ' A' ' 59' ' ' LEU . 91.2 m-20 -85.31 -38.71 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 83' ' ' PHE . 85.3 m -52.65 -42.35 64.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.79 -26.89 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.4 -25.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' CH2' ' A' ' 49' ' ' TRP . 42.8 mt -84.83 -55.99 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 tp -56.22 -51.72 67.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 t -53.48 -35.37 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -72.15 -56.5 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.59 -26.03 41.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -88.48 -26.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -70.96 -27.64 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.96 137.72 10.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.04 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 160.48 26.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -18.72 37.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 p -95.5 30.53 2.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -149.41 25.9 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -81.47 150.71 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -88.18 -173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -25.94 66.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.49 -47.81 9.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -52.02 -54.17 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 85.6 t -51.95 -30.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -81.21 -40.76 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -65.89 -47.85 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -52.21 -38.06 56.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.57 -59.97 3.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.46 -34.66 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.25 -52.24 59.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -53.07 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.25 -26.79 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.34 -26.31 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.14 57.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.7 mt -81.51 -177.1 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.45 133.74 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.48 97.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.1 tt -154.13 143.84 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.524 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -65.57 138.64 58.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -27.96 51.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -107.62 26.46 10.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -71.7 -28.84 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.89 74.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.428 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.2 ttp -125.45 144.94 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.15 136.57 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.02 -27.23 37.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -29.88 69.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.42 -33.71 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mp -54.52 -65.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.461 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -56.69 -24.76 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -78.55 -25.83 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mtm -64.2 134.01 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -87.24 -170.19 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -60.96 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.2 pt-20 -51.68 -37.7 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.38 -33.42 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 -32.12 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.763 HD21 HD23 ' A' ' 89' ' ' LEU . 7.0 mt -59.09 -25.1 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.79 -36.41 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' ASP . . . -81.76 -47.79 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -131.96 174.37 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.7 p -78.54 -177.29 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.763 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.02 -42.76 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 56.1 t80 -51.96 -30.15 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.596 ' OD1' HD22 ' A' ' 59' ' ' LEU . 7.6 m-20 -93.51 -38.41 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.8 m -52.06 -41.1 62.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.22 -26.2 61.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' TYR . 93.8 t -78.26 -30.92 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.39 -55.1 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 tp -51.99 -30.22 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -71.36 -57.34 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.518 ' HE1' HD21 ' A' ' 102' ' ' LEU . 49.8 t-80 -52.13 -31.06 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' CYS . 1.2 mp -62.33 -35.12 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 t -88.23 -26.83 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.518 HD21 ' HE1' ' A' ' 98' ' ' HIS . 3.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.85 137.72 10.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.34 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.7 160.6 37.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.11 37.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 p -78.76 -32.77 46.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -101.07 50.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -100.4 160.94 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.598 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -119.85 167.79 11.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -55.74 -27.38 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 42' ' ' THR . 0.8 OUTLIER -75.65 -26.99 58.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.598 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.0 m80 -86.72 -26.03 24.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 42' ' ' THR . 45.0 t -79.69 -28.85 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.21 -31.97 17.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.56 -47.75 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 99' ' ' LEU . 47.2 t90 -53.36 -40.09 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.11 -59.93 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.99 -26.54 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -75.85 -58.15 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.39 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.27 -26.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.34 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -61.61 -26.27 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.17 63.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.0 mt -88.21 -170.16 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -162.36 140.54 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 61.96 82.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -146.37 143.15 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.26 135.04 54.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 -36.19 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -67.36 -28.41 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -26.57 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -110.4 26.41 10.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -77.11 -31.66 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -154.15 67.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 tpp -116.74 144.61 44.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.73 136.42 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.18 -30.87 40.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.23 -32.5 64.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -35.27 80.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.469 HD11 HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -51.98 -56.8 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -23.56 67.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.79 -28.47 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.7 mtp -58.62 112.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.71 -170.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -64.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.0 pt-20 -52.0 -36.92 51.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.64 -32.39 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -93.89 -33.77 13.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 89' ' ' LEU . 8.5 mt -56.43 -25.68 51.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 -25.91 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.2 -46.11 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -135.96 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -77.36 -178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -68.61 -42.79 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 94' ' ' VAL . 68.6 t80 -52.1 -30.44 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.639 ' OD1' HD22 ' A' ' 59' ' ' LEU . 8.2 m-20 -93.51 -38.05 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -51.82 -41.76 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.65 -26.63 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 90' ' ' TYR . 94.1 t -78.11 -28.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.57 -55.4 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.4 tp -52.66 -57.59 9.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -52.11 -52.02 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -52.38 -46.55 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.1 mp -62.23 -26.03 68.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -26.67 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.34 -40.59 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.832 0.349 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.95 137.71 11.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.16 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.28 160.52 47.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.72 37.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -82.84 -26.13 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.55 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -97.16 166.25 11.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 46' ' ' VAL . 34.1 p -113.2 -178.99 3.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.36 -26.87 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.31 18.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -56.58 -26.43 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 42' ' ' THR . 68.0 t -81.64 -25.42 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -54.09 -49.3 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -54.31 -41.46 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 HG22 ' A' ' 64' ' ' THR . 9.0 tp -60.92 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -30.55 43.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -70.08 -50.79 37.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.42 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.4 -24.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -61.61 -26.53 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.12 59.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.39 -171.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.08 142.05 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 58.22 89.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -152.28 138.72 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.33 133.72 45.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.472 HG22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -108.41 -28.91 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -68.18 -30.02 69.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.94 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -109.25 32.91 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -28.7 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -148.88 26.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 tpp -76.72 132.26 39.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.07 137.52 56.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.75 -33.55 49.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -26.94 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.23 -34.82 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.5 mp -53.1 -60.3 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.2 -26.6 68.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.2 133.63 55.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.88 -171.18 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -34.49 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.36 -49.6 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.09 -35.38 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CB ' HG23 ' A' ' 92' ' ' THR . 8.2 m-85 -80.83 -26.88 36.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.742 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.1 -28.94 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -74.05 -27.16 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 -43.82 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -138.78 172.39 12.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.4 p -70.06 172.83 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.742 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -66.33 -41.56 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -55.85 -36.22 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -84.51 -39.29 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.548 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.5 m -54.59 -41.91 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.98 -27.15 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.02 -37.02 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.7 -57.31 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -47.99 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.28 -48.98 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.97 -48.03 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 75' ' ' LEU . 2.0 mp -63.58 -26.11 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -85.25 -26.69 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -58.66 -37.57 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -159.08 95.49 1.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.16 154.31 36.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.4 -150.19 5.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -150.0 93.3 2.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.46 106.22 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.33 113.76 0.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.433 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.1 ttp -94.4 161.67 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -82.04 -55.07 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 t80 60.68 89.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.62 166.22 28.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 t -141.68 159.68 41.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -152.2 174.49 13.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.14 154.51 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -101.41 -27.19 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 55.67 68.87 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -104.0 133.5 48.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -112.1 137.75 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.41 -177.7 51.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.73 23.59 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.8 Cg_endo -69.75 168.61 21.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.5 Cg_endo -69.72 167.75 69.81 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.36 -0.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -173.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -70.67 -59.74 2.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.19 142.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 t -58.42 161.42 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.1 -69.04 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -147.04 161.85 39.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.38 74.53 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 54.26 58.76 4.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -127.61 115.69 19.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.18 137.36 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.9 tt -105.54 -30.27 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.24 137.68 10.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.16 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.31 160.55 35.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -80.48 -27.69 37.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.3 mt -106.43 50.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -99.0 165.23 11.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 30.5 p -112.82 179.17 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -26.69 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.95 -45.07 17.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -55.84 -26.48 46.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' THR . 64.8 t -78.81 -26.37 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -55.65 3.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.14 -41.04 62.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.534 ' CH2' HD22 ' A' ' 95' ' ' LEU . 35.1 t90 -57.79 -52.75 64.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.31 -53.95 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.59 -26.88 56.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -78.73 -54.61 5.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.57 -49.71 67.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.0 mt -55.8 -26.02 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.98 -60.0 2.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.37 -64.03 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -61.8 -26.33 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 m 62.95 58.61 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.696 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -78.5 -171.4 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -160.08 134.13 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 62.56 81.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -138.64 142.11 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.85 133.87 48.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 -33.94 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 p -58.09 -28.34 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -28.91 67.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -108.17 29.6 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.82 -33.61 52.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -161.0 46.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttp -88.03 140.13 29.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.79 137.24 56.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.02 40.62 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -37.84 77.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.754 0.311 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -35.78 76.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 mp -56.93 -27.54 61.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 m -79.49 -41.89 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -63.04 -27.34 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.8 mmm -60.71 126.45 27.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -111.51 -176.12 2.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -31.63 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -76.98 -54.84 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -54.95 -42.09 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.4 m-85 -71.38 -31.95 67.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.589 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.78 -31.84 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -71.88 -26.65 62.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.36 -42.67 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -143.02 172.92 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.2 p -67.9 171.51 6.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.589 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.45 -43.75 93.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.2 t80 -53.87 -38.56 64.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.696 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.4 m-20 -79.42 -39.01 33.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.521 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.4 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.26 -27.06 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 90' ' ' TYR . 74.8 t -79.71 -25.36 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD22 ' CH2' ' A' ' 49' ' ' TRP . 28.4 mt -89.09 -57.88 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.7 tp -52.01 -42.22 62.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -62.26 -43.01 99.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.23 -46.63 79.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.3 mp -65.97 -25.82 67.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.8 p -87.13 -26.51 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -66.9 -42.77 84.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 28.3 mt -58.64 -40.99 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -65.16 -37.99 89.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.646 ' HA ' HD23 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -56.96 -26.45 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.4 m -75.69 -36.85 59.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -26.58 63.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 104' ' ' GLU . 4.4 mm? -52.83 -29.13 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 pp -95.63 -26.0 15.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.95 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -65.95 93.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -120.89 152.25 38.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.3 p -65.02 -47.34 77.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.2 m 62.4 98.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.9 t -97.05 81.05 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.2 m170 53.58 46.74 25.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.1 p -125.07 39.35 3.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -99.15 162.71 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.77 135.01 27.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 m -76.43 152.97 36.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.0 p -102.73 115.59 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtt-85 -143.85 54.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.09 118.94 37.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.7 t -124.08 139.39 53.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.0 p -59.5 144.08 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.75 167.15 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -165.82 176.08 8.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.21 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.624 0.726 . . . . 0.0 110.826 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 57.62 40.28 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.14 162.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.86 130.72 2.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p 58.5 177.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -91.66 -73.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.54 177.41 13.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -117.78 -64.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 m120 62.37 170.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -136.66 36.56 2.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -163.39 166.03 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 t -155.78 79.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -107.42 116.18 31.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mtt -113.63 142.74 45.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.55 108.68 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.01 136.96 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -139.47 84.69 2.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -109.0 150.41 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.99 178.59 35.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.516 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.66 23.73 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.5 Cg_endo -69.67 168.6 20.98 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.373 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.2 Cg_endo -69.78 167.74 70.04 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 -1.822 . . . . 0.0 112.33 -0.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.79 24.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 59.22 94.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.87 -173.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.2 p -130.95 164.36 25.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.3 m 56.32 76.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -116.92 -177.77 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 52.64 74.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -155.52 48.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -95.78 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 p -173.09 139.06 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.4 tt -115.13 -30.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -152.65 137.73 11.11 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.617 0.722 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.22 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.76 160.57 34.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -16.66 37.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -83.41 -27.96 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.67 46.52 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -95.77 164.57 12.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 21.3 p -112.43 -173.22 2.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -75.19 -27.88 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -80.72 -32.58 35.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -69.65 -27.21 64.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 42' ' ' THR . 78.8 t -79.62 -27.47 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.05 -54.92 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -52.13 -49.24 64.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 44.3 t90 -52.04 -45.64 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD22 ' HB2' ' A' ' 67' ' ' PHE . 2.9 tp -64.73 -54.87 24.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -55.37 -31.27 61.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -76.4 -49.22 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.85 -50.29 73.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.6 mt -56.25 -25.32 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.01 -62.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -55.38 -64.55 0.81 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -61.4 -26.37 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.7 m 63.22 57.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.9 mt -75.33 176.51 7.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.9 mtm -144.26 133.27 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 58.25 94.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -150.12 136.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.54 133.86 54.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -34.7 5.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 85.5 p -56.74 -26.8 58.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.72 -26.73 62.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.438 ' HB2' HD22 ' A' ' 50' ' ' LEU . 29.8 m-85 -112.1 26.81 10.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -87.35 -31.74 19.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -155.65 46.06 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 ttp -100.45 134.21 43.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.6 137.66 56.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.72 -37.64 51.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -58.72 -26.19 63.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.03 -32.38 30.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.05 -50.09 74.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.9 p -70.77 -29.55 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -66.99 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmm -60.87 143.77 54.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -114.65 -175.04 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -55.81 -30.12 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -78.85 -53.28 7.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.2 -40.68 67.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -72.92 -30.87 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.16 -28.76 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.69 -43.12 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -139.28 173.06 11.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.0 p -69.11 177.63 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.75 -42.23 70.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -56.14 -34.66 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.467 ' OD1' HD22 ' A' ' 59' ' ' LEU . 71.8 m-20 -80.83 -42.99 20.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -55.46 -36.33 66.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -68.45 -26.99 65.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 78.7 t -82.91 -26.43 8.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.79 -57.92 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.03 -47.46 71.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.4 t -54.96 -42.59 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -65.82 -49.76 67.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.8 mp -58.95 -26.11 64.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 t -89.33 -26.59 21.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.805 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -75.25 -26.52 58.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 34' ' ' VAL . 87.9 mt -76.15 -55.21 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -29.32 28.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.6 mt-10 -92.86 -26.18 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -26.34 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 m -87.79 -30.16 20.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 104' ' ' GLU . 3.3 mp -56.11 -25.68 46.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -78.73 -25.9 44.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -95.31 25.24 4.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.109 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -128.33 160.58 31.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.9 t30 62.95 26.27 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.2 157.43 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.99 29.77 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m 52.51 -170.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -130.54 -67.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 75.9 p -91.61 144.79 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -157.85 36.46 0.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -116.56 -73.99 0.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m 63.16 -177.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.1 p -168.09 141.93 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.82 92.38 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.38 -178.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 m -113.08 118.2 34.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.83 146.7 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt 59.79 178.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.67 -53.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -123.66 72.86 52.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.717 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -161.29 38.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 p -77.38 162.68 27.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.69 100.02 0.6 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -161.36 136.34 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.66 132.82 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.19 176.4 19.05 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ttp -162.87 -175.47 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -171.9 176.45 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.99 134.81 35.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -134.67 149.61 50.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.1 151.75 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.8 121.44 26.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.75 153.32 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.1 126.44 54.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -140.89 142.17 34.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -88.36 86.93 7.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.06 139.58 21.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 168.71 19.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.75 23.56 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.77 168.59 21.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.0 Cg_endo -69.77 167.76 69.93 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.37 -0.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -47.14 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.346 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -170.94 -63.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtm -134.25 -179.7 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 p -77.76 -69.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.556 HG22 ' ND2' ' A' ' 28' ' ' ASN . 39.6 m 58.02 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.556 ' ND2' HG22 ' A' ' 27' ' ' THR . 35.8 m-80 62.16 -171.55 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -111.03 38.56 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 -176.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 62.35 28.21 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -135.37 143.77 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.46 -31.26 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.9 137.72 11.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.29 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.86 -63.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.87 160.52 60.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -16.27 37.62 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.7 p -81.15 -29.62 34.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.18 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.13 46.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.97 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -94.3 166.11 12.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -110.21 -172.75 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -75.86 -26.0 56.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -42.25 18.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -55.9 -26.52 47.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 42' ' ' THR . 88.8 t -81.22 -25.98 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.01 -55.4 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -53.49 -49.94 66.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -52.86 -43.8 66.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.529 HD23 HG22 ' A' ' 64' ' ' THR . 11.6 tp -61.09 -57.53 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -58.58 -27.46 64.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.6 t90 -74.23 -49.75 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.06 -25.26 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -62.82 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -53.25 -64.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -62.96 -26.35 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t 63.19 57.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.708 HD22 ' OD1' ' A' ' 91' ' ' ASN . 26.0 mt -74.34 -177.17 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.36 132.49 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 57.84 92.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.8 tt -150.46 139.22 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -66.45 133.74 51.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.529 HG22 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -115.6 -28.59 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -29.36 68.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -27.6 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -106.87 28.15 8.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.81 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -134.55 28.73 3.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.09 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.91 137.43 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.88 43.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -29.44 70.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.11 -34.74 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.03 -57.41 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 31.7 p -65.87 -26.6 67.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -70.79 -28.6 64.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -66.41 151.41 47.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.24 -176.87 3.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -31.9 60.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.06 -51.05 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.74 -39.61 81.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.613 ' CB ' HG23 ' A' ' 92' ' ' THR . 4.6 m-85 -73.31 -32.84 64.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.678 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -58.45 -30.07 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -74.73 -26.45 59.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.87 -36.02 17.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -150.6 173.65 13.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.1 p -68.2 172.06 6.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.678 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -64.44 -44.03 92.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 94' ' ' VAL . 64.3 t80 -54.51 -37.7 65.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.708 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -82.16 -36.8 27.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.2 m -57.63 -38.91 75.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.36 -30.5 67.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 90' ' ' TYR . 58.3 t -72.62 -25.43 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.3 mt -88.63 -57.92 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -50.27 61.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.2 t -52.72 -53.05 53.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -57.44 -48.99 77.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.9 mp -61.79 -26.12 67.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 t -85.54 -26.73 26.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -60.17 -40.44 89.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.26 -36.59 84.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -64.78 -32.39 74.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.55 -26.3 67.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.4 t -52.67 -30.2 30.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.53 -29.79 17.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.48 -26.14 40.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -91.82 -30.04 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.48 68.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -58.29 144.37 41.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -74.34 175.27 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.57 161.97 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.7 p -128.09 131.41 49.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 p -174.01 102.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -108.59 124.13 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.4 p -139.5 172.35 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.65 72.26 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 178.84 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 p -165.88 165.63 18.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.84 -71.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.05 169.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.64 94.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 m -96.9 -179.01 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.9 158.33 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.76 126.77 30.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -159.01 123.06 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -130.87 160.63 65.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.72 92.08 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.73 122.73 47.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.96 176.07 15.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.43 -179.67 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -112.01 158.47 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.13 171.82 54.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 tmm? -102.26 105.72 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.768 0.318 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -90.86 138.21 31.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.18 119.89 40.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.11 175.4 5.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 p -150.46 73.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.47 140.14 30.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.0 mmt -88.4 177.29 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -136.59 147.94 47.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.49 176.45 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.62 150.31 41.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -72.75 173.88 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -108.58 167.18 13.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.67 23.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.331 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.72 168.56 21.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.1 Cg_endo -69.84 167.73 70.24 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.315 0.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.9 35.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -157.27 -57.07 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.95 172.27 7.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.4 p -145.05 120.11 10.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.2 m -160.83 73.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -141.94 -50.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.63 134.24 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.45 175.88 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -62.41 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.8 p -175.35 132.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt -117.61 -29.15 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.5 137.75 10.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.694 0.759 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.242 . . . . 0.0 112.392 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.32 160.71 49.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -10.99 29.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.3 p -82.44 -32.6 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.64 42.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -94.62 155.97 16.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -115.18 167.72 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -30.92 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -69.02 -32.08 71.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.435 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.4 m80 -83.04 -42.94 16.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' THR . 46.6 t -56.57 -27.25 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.47 -54.84 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -53.2 -48.57 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.17 -45.79 65.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.87 -58.73 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.41 -30.37 39.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -74.59 -51.5 14.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.39 -51.22 69.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.03 -25.29 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -84.14 -63.29 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.87 -64.28 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -61.55 -26.11 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 m 63.1 60.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.23 -170.4 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptp -158.22 134.09 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 61.69 89.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 tt -145.12 137.79 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.36 133.74 49.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.47 -28.18 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -32.1 58.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.31 -30.64 64.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -100.99 26.3 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -79.06 -33.23 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -161.08 44.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.6 ttp -90.78 133.69 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -65.66 138.08 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.12 -28.58 42.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -41.42 95.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.61 -36.96 85.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HB3' HD21 ' A' ' 99' ' ' LEU . 4.9 mp -52.26 -33.9 43.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 70.1 m -76.67 -41.21 46.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -59.04 -28.77 66.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmm -69.99 131.76 44.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -111.36 -171.67 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.68 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -80.34 -53.48 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -56.45 -33.92 66.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.56 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.2 m-85 -79.9 -28.64 39.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.611 HD21 HD23 ' A' ' 89' ' ' LEU . 4.9 mt -62.46 -26.88 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -74.66 -27.88 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.35 -43.11 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -140.91 172.4 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -70.6 166.54 20.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.611 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -60.62 -40.82 93.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -54.99 -30.02 58.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.25 -37.36 12.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 ' CB ' ' A' ' 83' ' ' PHE . 88.9 m -52.64 -42.01 64.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.62 -29.16 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -74.28 -27.06 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.81 -55.36 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -52.67 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.1 t -55.29 -34.72 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -71.39 -39.12 71.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.41 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.7 mp -72.86 -27.95 62.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -88.28 -27.61 21.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -64.17 -42.83 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.6 -32.59 71.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -59.23 -33.01 70.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.87 -30.41 24.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -27.49 63.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.6 p -55.12 -27.63 46.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 mp -55.03 -27.31 43.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.09 -31.51 50.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.72 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -53.96 124.18 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.0 179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.03 177.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.4 t -158.98 169.8 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.6 t -71.0 106.84 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -169.1 90.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 17.0 m -83.63 120.65 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -109.3 129.49 55.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.74 162.44 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 95.7 p -115.65 125.69 53.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.02 136.71 25.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -124.76 135.53 53.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 144.13 49.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -74.79 121.2 21.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.5 t -143.74 133.37 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.8 mttt 53.34 65.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -77.47 96.34 4.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.8 t70 54.47 70.06 1.84 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.49 -172.94 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 61.2 -178.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.43 132.92 7.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.79 159.25 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -147.19 -177.5 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.52 146.15 5.14 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 ttt -162.87 150.66 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -163.72 141.7 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 125.55 53.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.0 103.42 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -147.27 58.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -100.25 177.7 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.27 142.62 19.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -173.85 114.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -122.26 146.62 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.03 100.71 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -90.72 120.36 31.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 169.15 20.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.74 23.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.329 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.1 Cg_endo -69.8 168.6 21.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.649 2.233 . . . . 0.0 112.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 54.2 Cg_endo -69.74 167.7 70.05 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.382 -0.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.2 25.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -98.59 -55.93 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 61.67 -175.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.6 p -147.56 78.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -81.61 -73.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -144.79 141.72 29.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -172.69 81.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -124.73 79.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.69 28.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.94 137.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.6 tt -100.98 -31.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.8 137.74 10.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.3 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.233 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -72.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.13 160.6 38.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.45 36.95 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.7 p -82.87 -26.56 31.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 mt -106.65 48.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.7 m0 -97.0 159.71 14.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p -112.04 172.34 6.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -61.87 -27.15 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -78.47 -29.59 46.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -77.97 -26.05 48.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 HG13 HD11 ' A' ' 75' ' ' LEU . 92.3 t -83.94 -25.98 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -90.31 -31.6 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -77.29 -50.96 11.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.443 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 46.3 t90 -52.47 -39.76 61.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.64 -68.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -35.71 53.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -62.88 -56.02 21.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.27 -50.48 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.02 -25.24 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -62.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -54.48 -65.0 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -61.69 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 t 63.21 57.53 1.56 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.1 mt -77.86 -170.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.04 144.88 14.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 59.39 81.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -147.05 141.74 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.91 133.38 36.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -31.24 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -30.52 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -57.24 -28.06 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -107.4 26.32 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -73.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -117.07 26.41 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.498 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.4 ttm -61.88 129.44 40.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.04 137.21 56.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.28 -28.98 44.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -27.1 60.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.77 -27.5 61.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.561 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -55.84 -57.35 12.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.51 -26.57 67.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -69.5 -37.06 77.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmm -57.34 134.03 55.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -105.55 -174.83 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.506 ' CE ' HD11 ' A' ' 89' ' ' LEU . 2.9 tptt -55.3 -28.91 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -78.45 -56.35 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.83 -35.97 58.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.9 m-85 -77.86 -35.17 51.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 89' ' ' LEU . 4.8 mt -56.68 -31.44 64.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.51 -26.28 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.03 -40.19 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -146.27 172.39 13.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.7 p -70.8 159.11 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -53.87 -40.57 66.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -54.4 -30.46 52.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 59' ' ' LEU . 44.6 m-20 -91.51 -37.53 13.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.417 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.8 m -55.58 -32.66 63.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.99 -26.58 59.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.87 -28.05 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.38 -59.63 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.37 -48.44 65.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.8 t -54.11 -48.41 70.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -61.74 -45.36 94.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.561 HD21 HD23 ' A' ' 75' ' ' LEU . 1.3 mp -63.65 -26.59 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.9 t -87.29 -26.69 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -64.49 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.46 -41.99 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -30.74 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -27.34 60.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.1 t -67.66 -27.1 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.8 t -54.76 -27.24 39.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.95 -26.97 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.92 -29.86 50.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.14 63.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -57.94 101.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -146.42 52.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.53 122.48 15.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.74 -48.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -154.23 147.21 24.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -124.75 111.86 16.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.4 t -117.5 146.53 43.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -117.87 74.22 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.77 67.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 p -116.44 43.84 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -105.23 91.76 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mtm180 -120.6 147.5 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.81 103.79 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.63 168.3 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.7 m -124.69 168.3 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -164.25 138.93 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -109.9 162.71 14.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.81 160.06 1.04 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -63.47 -59.4 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -144.48 174.57 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.98 144.79 34.1 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -140.27 71.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.56 144.37 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.61 172.32 55.23 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.58 121.29 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -83.3 170.69 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.09 145.24 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -128.69 165.0 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.16 171.34 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -112.7 150.29 31.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.11 148.69 52.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.59 150.54 40.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -127.31 138.33 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 -174.99 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.09 118.51 28.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.53 177.44 0.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 167.72 23.73 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.72 168.59 21.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.5 Cg_endo -69.76 167.73 70.01 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.309 -0.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -175.05 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.712 2.275 . . . . 0.0 112.339 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.26 -56.98 14.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.19 -68.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 p -142.73 38.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 t -79.6 -27.87 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -155.35 -62.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 55.15 27.37 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtm180 55.84 83.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.707 ' HG2' HG12 ' A' ' 32' ' ' VAL . 9.5 ttt180 -148.52 -73.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.707 HG12 ' HG2' ' A' ' 31' ' ' ARG . 7.5 p -173.75 126.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.68 -32.42 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.7 137.72 11.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.3 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.15 160.57 35.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.539 0.685 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.15 37.8 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -78.26 -32.01 49.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.48 49.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -99.63 160.88 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.59 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.4 t -118.81 168.45 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -55.73 -26.38 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 42' ' ' THR . 0.6 OUTLIER -75.54 -27.93 58.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.59 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.6 m80 -87.39 -28.74 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 42' ' ' THR . 41.6 t -71.98 -30.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -89.72 -47.92 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -57.94 -49.01 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -52.32 -55.96 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 67' ' ' PHE . 7.8 tp -55.11 -56.78 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.4 -31.5 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -76.6 -44.65 33.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.93 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.67 -29.11 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -62.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -52.85 -65.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -61.8 -26.32 68.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t 63.04 52.63 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.714 HD22 ' OD1' ' A' ' 91' ' ' ASN . 27.1 mt -68.69 -170.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -154.13 123.83 6.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 62.3 93.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -145.54 137.22 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 133.64 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.99 -35.27 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -55.84 -27.59 52.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -26.56 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB2' HD22 ' A' ' 50' ' ' LEU . 27.6 m-85 -110.84 26.35 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -88.46 -32.08 18.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -156.9 55.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ttp -109.79 139.25 45.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.76 137.38 57.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.24 -26.76 29.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -31.72 70.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.92 -37.86 72.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -53.18 -31.05 40.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 38.8 m -76.1 -42.19 47.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -59.42 -30.53 68.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtp -62.4 112.4 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -171.91 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -31.67 44.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.24 -53.96 6.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -52.39 -44.9 65.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CB ' HG23 ' A' ' 92' ' ' THR . 7.3 m-85 -70.63 -34.09 71.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.493 HD11 HD23 ' A' ' 89' ' ' LEU . 3.6 mt -57.57 -26.78 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.6 mtt-85 -74.34 -32.75 62.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.84 -42.64 17.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -142.09 173.46 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.0 p -70.78 171.96 9.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.493 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -64.34 -41.29 96.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -56.64 -30.92 63.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.714 ' OD1' HD22 ' A' ' 59' ' ' LEU . 32.0 m-20 -89.35 -37.41 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.486 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.5 m -58.24 -33.32 69.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.93 -27.91 62.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.87 -25.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -86.68 -58.22 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.7 tp -52.7 -52.85 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 t -54.33 -35.16 62.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -70.69 -49.85 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.4 -26.76 68.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.9 t -85.77 -28.1 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.67 -38.43 75.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -32.65 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -59.32 -31.3 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -53.4 -29.72 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.6 t -60.41 -29.48 69.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.7 t -93.42 -30.01 15.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.3 mt -55.41 -26.2 40.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.53 -30.01 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.96 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -60.5 174.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -88.45 173.68 8.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.24 170.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.0 m 62.59 36.4 13.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.4 175.32 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.24 153.1 49.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.56 178.14 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -53.79 151.8 6.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m -114.96 -174.37 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.5 p -95.01 -177.59 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -138.29 176.81 8.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.6 177.22 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.1 166.53 15.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 76.3 t -79.55 129.68 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.01 133.38 7.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.64 -34.18 8.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.08 160.55 51.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.355 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t 56.68 87.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.37 -171.91 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.67 -165.59 11.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 t -156.36 88.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.824 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.97 -171.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.31 62.41 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 tpt -137.97 136.5 37.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -150.56 177.05 10.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -131.97 169.47 16.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -124.64 82.59 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.86 -177.11 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.76 111.33 14.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -89.87 128.93 36.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.12 97.5 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.99 167.17 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -160.61 139.73 10.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -77.18 158.54 30.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.92 169.52 50.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.76 23.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.77 168.63 21.02 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.73 167.79 69.68 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.323 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -32.9 17.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.66 154.21 44.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.1 mtm -90.26 173.46 8.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 t -152.48 153.08 32.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.08 178.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -72.26 -57.29 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.7 72.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.54 95.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.16 -65.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -168.77 129.17 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tt -111.38 -31.33 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 102' ' ' LEU . 2.0 t -155.03 137.73 10.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.177 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.34 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -74.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -117.68 160.6 37.7 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -78.59 -32.41 47.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.87 52.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -102.06 164.92 11.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.572 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -123.87 168.55 12.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -56.19 -25.89 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.514 ' H ' HG23 ' A' ' 42' ' ' THR . 0.9 OUTLIER -76.6 -26.14 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.3 m80 -88.94 -28.05 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 42' ' ' THR . 43.5 t -76.38 -27.62 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -90.2 -49.42 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -58.4 -49.28 77.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -52.86 -50.48 63.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -58.7 -55.88 29.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -52.66 -47.99 66.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.56 -46.18 91.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.56 -54.15 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.77 -25.77 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -60.59 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.34 -60.85 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -61.96 -26.31 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.4 t 63.16 59.46 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' OD1' ' A' ' 91' ' ' ASN . 16.7 mt -85.86 -175.85 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -160.61 157.46 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 54.27 64.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 tt -130.77 150.14 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.15 133.98 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -28.04 68.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.91 30.86 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.33 -74.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -123.93 33.0 5.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.3 ttp -74.32 133.64 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -65.61 138.11 57.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.74 -34.43 44.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.458 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -28.34 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -36.82 64.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.15 -26.57 39.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.1 m -83.55 -47.94 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -57.53 -27.97 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -65.47 128.64 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -103.22 -173.72 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HE2' HD11 ' A' ' 89' ' ' LEU . 1.2 tptt -61.79 -33.41 74.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.6 mt-10 -72.41 -41.27 66.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.02 -51.56 63.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.498 ' CB ' HG23 ' A' ' 92' ' ' THR . 10.7 m-85 -60.36 -31.74 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' A' ' 89' ' ' LEU . 6.6 mt -60.27 -26.25 66.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -77.46 -30.48 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.12 -27.69 28.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -161.05 171.89 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.7 p -68.88 160.05 31.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.9 tp -54.81 -40.42 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 94' ' ' VAL . 47.4 t80 -52.72 -33.92 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.489 ' OD1' HD22 ' A' ' 59' ' ' LEU . 53.2 m-20 -87.87 -35.26 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.498 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.6 m -62.0 -42.51 99.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.52 -31.0 72.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 90' ' ' TYR . 68.9 t -78.87 -42.52 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.88 -59.12 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.5 tp -53.61 -44.32 69.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.5 t -52.77 -61.34 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.08 -27.37 53.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -27.73 62.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.23 -33.66 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -57.09 -32.86 66.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.482 HD13 HG21 ' A' ' 34' ' ' VAL . 67.5 mt -70.99 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -55.19 -29.72 58.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.663 ' HA ' HD23 ' A' ' 107' ' ' LEU . 6.9 mt-10 -57.73 -26.23 61.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.1 m -75.48 -36.14 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -26.65 64.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 104' ' ' GLU . 4.3 mm? -53.33 -28.76 30.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.33 -29.56 28.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -96.33 33.02 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 168.56 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.31 103.11 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.57 170.12 16.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 114' ' ' SER . 0.2 OUTLIER 63.84 173.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.409 ' H ' HG22 ' A' ' 113' ' ' THR . 37.0 m -72.95 89.86 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.44 176.08 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.0 p -151.08 37.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -79.43 157.68 27.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -124.68 38.57 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.8 p -95.74 143.67 26.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.16 162.44 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.85 173.37 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.9 mp -92.1 146.63 23.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 m -151.14 98.76 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -145.38 133.93 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.13 138.83 49.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 102.84 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.65 160.56 35.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.587 0.708 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -104.51 157.28 17.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.2 p -95.62 113.62 25.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.83 75.07 1.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.75 168.01 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.71 100.61 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.45 131.57 14.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 mtm -80.72 -74.32 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -175.09 49.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -75.43 85.93 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -27.69 23.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.1 p -71.27 150.14 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -170.21 162.73 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.935 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -118.77 121.39 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -96.87 147.21 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -124.87 129.56 50.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -149.84 129.4 13.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -89.52 174.08 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.38 -174.35 28.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 167.75 23.47 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.372 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.8 168.63 21.07 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.76 167.75 69.91 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.374 -0.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -35.65 12.18 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.688 2.258 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -152.92 171.54 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.85 -31.38 9.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 t -139.79 141.97 36.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.8 p -141.1 149.83 42.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -89.98 -175.37 4.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -124.17 26.32 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 52.8 80.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.3 27.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 p -175.74 140.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 tt -87.21 -33.19 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.0 137.73 10.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.35 -70.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.87 160.63 43.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -15.23 36.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.314 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.4 p -77.64 -33.56 53.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.1 mt -103.24 53.8 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -102.34 158.46 16.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.621 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.9 t -116.93 168.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 mp0 -56.02 -30.73 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' H ' HG23 ' A' ' 42' ' ' THR . 8.1 tp10 -72.57 -26.89 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.621 ' ND1' HG22 ' A' ' 42' ' ' THR . 19.1 m80 -86.07 -26.34 25.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.431 HG12 ' HB3' ' A' ' 67' ' ' PHE . 73.2 t -76.17 -25.38 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -56.92 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.42 -46.78 66.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 57.7 t90 -52.2 -47.13 65.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 HD23 HG22 ' A' ' 64' ' ' THR . 11.3 tp -52.17 -49.78 63.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.53 -26.52 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -71.8 -60.66 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.82 -51.59 55.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.41 ' CD1' HG21 ' A' ' 62' ' ' ILE . 62.9 mt -57.52 -25.37 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -64.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -52.26 -63.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -62.46 -26.32 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.02 63.35 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.7 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.2 mt -86.49 -170.03 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.6 ptp -155.73 140.72 17.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 58.64 95.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 54' ' ' ILE . 9.3 tt -154.25 143.06 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.83 142.43 53.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.485 HG22 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -118.15 -28.98 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.42 -27.76 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' HB3' HG12 ' A' ' 46' ' ' VAL . 16.5 m-85 -106.22 27.28 8.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.74 -73.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -125.13 38.2 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.0 tpp -72.58 135.79 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.45 137.37 56.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.86 -43.12 60.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -63.07 -27.05 69.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.707 0.289 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.596 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.8 mp -52.09 -34.24 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 m -75.12 -51.67 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -56.99 -26.02 59.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -53.63 124.72 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -94.41 -170.52 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -61.39 -60.17 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 84' ' ' LEU . 2.8 pt-20 -51.9 -37.8 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.79 -32.01 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -94.09 -34.47 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD21 HD23 ' A' ' 89' ' ' LEU . 7.5 mt -56.08 -25.58 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -75.88 -26.26 56.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.72 -46.95 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.431 HG21 ' HB3' ' A' ' 91' ' ' ASN . 14.5 t -136.04 173.99 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.6 p -73.18 -179.44 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.77 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -68.47 -43.61 76.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.515 ' O ' HG23 ' A' ' 94' ' ' VAL . 54.8 t80 -52.05 -30.03 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.7 ' OD1' HD22 ' A' ' 59' ' ' LEU . 27.3 m-20 -93.54 -37.85 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.6 m -52.14 -47.29 65.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.3 -26.38 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 90' ' ' TYR . 91.7 t -74.99 -27.1 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.47 -57.58 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.06 -61.13 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 t -52.07 -52.91 48.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.76 -42.6 65.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -66.14 -25.88 67.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.5 p -86.31 -26.74 24.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.79 -37.27 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.96 -36.54 70.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -61.17 -33.46 73.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -28.26 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -29.92 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -91.55 -27.04 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.05 -26.93 51.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.94 -26.89 23.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.89 75.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -70.63 105.79 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.41 -171.33 3.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.4 p -63.73 94.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.9 171.15 13.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.0 m -139.12 33.21 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -171.1 150.67 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.46 32.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.99 176.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -138.67 113.88 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.3 p -136.74 135.96 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 93.3 p -119.73 147.89 44.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -80.71 161.1 24.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.6 73.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -113.49 76.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.92 100.09 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 13.6 tptt 52.87 61.52 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -123.76 96.35 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.94 160.59 68.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.368 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -46.98 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.01 171.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.96 87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -171.78 112.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -135.91 152.59 51.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 169.86 11.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -119.07 169.09 10.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.42 103.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -148.73 66.29 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -127.81 128.23 44.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -122.41 150.57 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -122.19 151.65 40.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 mtm -56.38 140.75 44.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.33 155.08 43.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -134.02 97.65 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -66.64 149.42 50.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.87 147.73 35.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.56 169.07 54.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.323 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.9 Cg_endo -69.77 168.66 20.92 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.71 167.72 69.85 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.332 -0.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -21.63 33.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -156.74 157.52 35.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.16 -173.04 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -144.12 85.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.36 128.02 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 57.67 -171.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.02 114.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mmm-85 -141.94 43.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.92 113.67 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.67 136.48 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 tt -90.5 -32.24 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.22 137.69 10.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.668 2.245 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.87 160.65 36.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -14.7 36.2 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -79.22 -30.82 43.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.13 53.17 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -102.33 165.8 10.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.575 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.2 t -124.71 168.57 13.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -55.92 -26.38 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.98 -26.85 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.7 m80 -88.67 -27.62 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 70' ' ' MET . 60.4 t -74.39 -28.53 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.98 -50.01 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -56.89 -48.63 77.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -52.82 -46.04 67.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 HD23 HG22 ' A' ' 64' ' ' THR . 5.1 tp -60.6 -51.39 69.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.84 -26.8 66.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -80.17 -41.82 24.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.42 52.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.95 -25.77 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -62.99 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.16 -64.72 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -63.49 -26.32 68.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m 62.98 59.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD22 ' OD1' ' A' ' 91' ' ' ASN . 12.2 mt -78.5 -170.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.1 ptp -156.39 137.56 13.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.97 94.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 tt -156.34 138.49 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.73 137.44 42.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 HG22 HD23 ' A' ' 50' ' ' LEU . 1.5 p -108.71 -33.09 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.165 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -26.77 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -26.99 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' HB2' HD22 ' A' ' 50' ' ' LEU . 26.9 m-85 -113.46 26.4 10.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -84.21 -32.15 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -155.75 35.85 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.512 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.0 ttp -86.62 131.0 34.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -65.64 138.08 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.14 -30.36 38.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -33.83 71.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.38 -34.69 58.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -56.25 -27.22 54.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.24 -49.57 9.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -57.66 -26.87 62.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 mmm -60.72 126.6 28.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -109.53 -176.05 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.1 64.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -69.67 -50.79 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.03 -45.43 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.587 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.1 m-85 -69.43 -27.86 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 89' ' ' LEU . 4.6 mt -63.0 -27.49 69.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.2 mtt-85 -77.32 -27.21 52.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.4 -32.19 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -153.98 172.62 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.5 p -68.48 171.44 7.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -65.08 -40.94 95.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 94' ' ' VAL . 73.6 t80 -56.24 -37.08 69.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.541 ' OD1' HD22 ' A' ' 59' ' ' LEU . 83.0 m-20 -82.86 -36.98 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.0 m -56.87 -39.44 74.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.68 -28.9 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 90' ' ' TYR . 72.9 t -77.08 -26.67 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.5 mt -86.77 -55.63 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.4 tp -54.59 -52.72 61.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.5 t -52.94 -40.42 63.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -65.55 -44.99 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.12 -26.01 65.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 -26.61 25.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.75 -42.13 96.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.7 mt -64.96 -35.47 81.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -66.18 -36.75 83.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -59.22 -28.66 66.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -27.53 66.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -27.55 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.6 mt -55.82 -26.78 48.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -80.48 -29.83 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.82 79.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.69 98.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -125.43 -69.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.93 144.6 45.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.21 143.58 20.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.32 178.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -137.24 149.29 47.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.06 152.56 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -157.72 177.16 11.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.96 169.29 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -146.36 155.25 42.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.4 178.68 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -173.84 166.57 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.74 120.17 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 p -162.33 57.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.16 145.62 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.36 130.73 50.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.04 162.84 18.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.98 160.58 27.61 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.561 0.696 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 -179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.4 124.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.887 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -175.7 166.5 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 128.41 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.11 81.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.99 166.35 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.99 92.33 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 mtp -143.97 174.43 10.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.44 -62.28 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 56.23 86.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -104.57 -177.42 3.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.3 m -151.84 161.92 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -120.34 108.15 13.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.957 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.4 mmm -148.57 131.46 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -159.32 139.63 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.1 115.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -179.85 4.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.03 108.27 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.23 168.7 8.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.71 23.66 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.73 168.62 20.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.72 167.73 69.86 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.75 -1.771 . . . . 0.0 112.313 -0.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -38.52 7.61 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -136.42 151.65 49.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.98 57.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -136.06 157.35 47.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.95 -73.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.152 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -139.3 121.61 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -165.61 -177.79 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' HG12 ' A' ' 32' ' ' VAL . 23.8 ptt180 -130.26 151.0 51.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.25 96.03 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG12 ' HG3' ' A' ' 30' ' ' ARG . 7.5 p -171.9 126.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 tt -114.54 -30.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.68 10.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.637 2.225 . . . . 0.0 112.388 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.38 -75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.97 160.62 31.6 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -16.32 37.13 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.8 p -98.25 24.91 6.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -150.75 28.62 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -78.93 170.86 16.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.8 p -116.47 -173.57 2.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.5 -26.76 60.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.7 -44.65 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -56.19 -26.04 49.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.716 HG13 HD11 ' A' ' 75' ' ' LEU . 61.0 t -78.06 -28.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.76 -52.98 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -55.48 -49.15 73.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 50.0 t90 -54.71 -44.91 73.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.8 -58.91 6.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.96 -38.1 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -68.73 -46.67 68.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.47 57.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.62 -26.05 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -61.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -56.27 -62.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -61.99 -26.39 68.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t 62.86 56.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.689 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.1 mt -78.02 -176.61 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.03 140.11 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 60.32 82.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.23 139.68 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.83 133.78 45.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 -27.84 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.8 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.46 -31.41 71.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -99.97 28.67 4.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.49 -68.49 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 27.77 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 75' ' ' LEU . 31.1 ttm -63.23 134.11 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.04 137.67 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.35 -44.36 58.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -64.12 -31.48 72.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.689 0.28 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.62 -30.15 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.749 HD23 HD21 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -53.8 -56.28 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.56 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -34.93 79.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.09 130.47 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -96.17 -176.93 3.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.62 -41.11 69.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 84' ' ' LEU . 8.4 mt-10 -69.99 -37.07 75.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.87 -51.67 52.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.541 ' CB ' HG23 ' A' ' 92' ' ' THR . 12.3 m-85 -62.49 -26.54 68.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.737 HD21 HD23 ' A' ' 89' ' ' LEU . 6.2 mt -61.65 -32.06 72.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -71.72 -26.19 62.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.26 -42.07 12.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -143.75 173.72 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.2 p -69.9 169.08 13.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.737 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -62.97 -38.95 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -57.95 -32.59 67.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.689 ' OD1' HD22 ' A' ' 59' ' ' LEU . 25.1 m-20 -87.34 -40.52 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.541 HG23 ' CB ' ' A' ' 83' ' ' PHE . 94.4 m -53.85 -39.0 65.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.59 -26.67 64.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.66 -25.38 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.7 mt -85.7 -59.86 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -47.35 65.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.3 t -52.74 -56.95 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -57.84 -32.9 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.749 HD21 HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -72.58 -26.6 61.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.4 t -88.1 -30.58 19.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.78 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -53.9 -29.65 42.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.964 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.42 -33.37 64.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.0 mtp85 -64.53 -40.03 94.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -58.97 -27.82 65.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -61.89 -27.14 68.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.09 -29.59 16.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.8 mt -55.71 -26.16 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -79.97 -28.72 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.3 -32.51 72.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.34 -69.75 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -62.06 -33.18 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.6 110.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.81 146.82 38.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -120.06 35.74 4.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -147.08 96.52 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -155.05 137.2 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -77.75 162.42 26.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -151.82 147.21 26.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.5 t -147.86 108.63 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 62.6 m -99.58 78.51 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -116.94 33.78 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mm? 58.42 178.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.0 m -108.59 35.33 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.47 75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.84 174.93 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 58.26 36.99 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.93 155.66 89.43 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.598 0.713 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.743 2.296 . . . . 0.0 112.326 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -155.5 96.37 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -143.38 144.65 32.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.0 -135.82 3.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.67 -175.99 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.02 140.48 11.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.9 160.56 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.7 ttt -155.71 147.11 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -130.6 -66.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.05 -170.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -162.38 -173.86 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -160.84 111.71 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -144.36 137.29 27.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -125.68 122.05 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.19 112.8 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -112.73 158.12 20.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.91 89.17 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -160.19 146.24 15.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.5 168.64 16.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.68 23.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.7 Cg_endo -69.71 168.62 20.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.78 167.72 70.11 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.319 -0.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -25.26 28.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -163.96 166.76 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -169.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -152.76 153.59 33.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -138.53 25.07 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 m120 63.26 161.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.16 166.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -76.19 140.4 41.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.804 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -54.77 -73.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -177.35 129.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 tt -113.24 -33.77 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.32 137.74 10.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.592 0.71 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.27 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.29 -75.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.87 160.56 34.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.16 34.27 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 p -82.81 -25.63 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.25 50.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 3.3 m0 -102.33 160.15 14.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 46' ' ' VAL . 13.5 t -121.91 170.11 10.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -54.71 -28.08 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' THR . 2.0 tt0 -73.56 -30.19 62.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' ND1' HG22 ' A' ' 42' ' ' THR . 29.8 m80 -86.71 -26.96 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 42' ' ' THR . 59.4 t -73.6 -28.86 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.35 -55.2 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -52.37 -49.16 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 42.1 t90 -52.27 -47.02 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.7 -52.5 60.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -56.36 -26.76 53.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -74.34 -51.12 16.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 57' ' ' TYR . . . -60.08 -47.94 83.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.0 mt -56.48 -25.16 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -89.64 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.512 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 19.2 m-85 -63.34 -26.57 68.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t 63.06 57.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD22 ' OD1' ' A' ' 91' ' ' ASN . 18.6 mt -73.07 -170.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -154.07 131.67 11.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 59.08 94.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.5 tt -146.8 140.03 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -71.4 133.44 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -36.05 6.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 p -57.35 -26.89 61.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -26.4 63.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' HB3' HG12 ' A' ' 46' ' ' VAL . 27.4 m-85 -114.72 26.51 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -84.13 -31.11 25.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -155.48 41.11 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.519 ' O ' HG21 ' A' ' 46' ' ' VAL . 1.1 ttp -89.75 134.27 34.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.37 136.32 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.67 -30.93 36.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.2 -39.26 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -64.32 -36.26 83.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' HB3' HD21 ' A' ' 99' ' ' LEU . 3.0 mp -53.2 -28.77 28.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 m -82.33 -48.4 11.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -57.5 -26.93 62.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmm -68.56 130.27 42.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -110.61 -175.0 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -30.18 28.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -63.71 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.04 -31.07 28.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' HB3' HG23 ' A' ' 92' ' ' THR . 4.1 m-85 -79.61 -32.74 41.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -61.25 -28.45 69.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -75.23 -26.23 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.07 -36.89 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.03 173.49 12.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.7 p -68.46 177.17 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -67.48 -43.91 79.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -52.25 -48.64 65.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.672 ' OD1' HD22 ' A' ' 59' ' ' LEU . 75.4 m-20 -69.66 -44.0 71.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 83' ' ' PHE . 93.6 m -54.29 -33.66 59.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -69.45 -28.82 66.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 91.3 t -82.64 -43.02 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.9 mt -60.66 -57.94 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -52.31 65.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.9 t -52.17 -55.3 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -52.34 -50.9 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.8 mp -58.37 -26.09 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.1 m -86.47 -26.57 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -63.93 -37.28 86.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.4 mt -60.96 -44.01 97.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -57.55 -27.15 62.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -93.91 -26.15 16.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.7 t -52.17 -30.82 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.86 -32.1 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 107' ' ' LEU . 16.2 mt -56.58 -24.71 49.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.54 -29.11 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.65 -25.69 40.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -72.18 96.43 1.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -169.24 -177.52 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.69 120.42 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -74.39 128.05 34.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.41 92.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -63.4 157.87 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.99 140.43 24.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -95.76 -35.83 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 57.03 60.2 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.1 m -133.32 109.92 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.1 p -168.79 41.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.46 118.41 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.7 mp -108.45 148.64 29.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.7 p -95.83 132.69 40.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.86 145.02 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.76 153.53 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -120.74 178.54 4.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -152.49 70.11 7.38 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.736 2.291 . . . . 0.0 112.358 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.49 -34.12 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.838 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m 60.45 -175.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 83.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -127.69 152.97 47.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -140.62 175.47 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.61 118.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 ptm -98.0 164.43 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -83.35 123.91 30.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.21 86.22 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.48 173.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -117.23 178.92 4.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -100.17 87.05 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.6 143.95 56.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.34 127.3 6.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -116.11 98.41 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -98.34 176.9 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -63.71 153.59 35.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.49 176.22 54.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 167.78 23.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.75 167.76 69.88 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.317 -0.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -37.52 9.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 54.83 43.25 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mtp 61.25 -178.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -68.81 -56.69 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 p -128.92 168.28 16.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -91.72 -50.89 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.22 170.85 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.0 27.61 15.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt-85 -68.8 -70.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -104.83 139.01 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.9 tt -89.06 -31.09 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.01 137.71 10.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 -48.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.26 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.34 160.55 45.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.623 0.725 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -16.64 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.5 -33.45 60.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 mt -105.86 56.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -102.98 165.87 10.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.641 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.03 167.1 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.01 -28.18 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -74.52 -28.14 60.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.641 ' ND1' HG22 ' A' ' 42' ' ' THR . 24.1 m80 -86.8 -28.22 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 59.3 t -73.31 -28.29 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.48 -51.75 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.08 -48.01 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.458 ' CZ2' HD13 ' A' ' 99' ' ' LEU . 44.1 t90 -53.83 -46.9 71.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.28 -59.21 5.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.95 -32.39 53.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -73.09 -48.55 34.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.8 -50.02 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.2 mt -56.23 -25.79 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -62.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -53.92 -65.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -62.24 -26.54 68.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t 63.14 54.54 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.4 mt -71.69 -171.8 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.2 ptt? -157.76 134.59 9.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 63.18 85.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -146.74 139.79 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -69.77 134.18 48.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.74 -30.12 7.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.13 -26.69 68.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -27.98 65.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -109.36 32.07 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.14 -28.01 21.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -152.0 26.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.2 tpp -76.57 135.12 39.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.4 137.59 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.89 -33.97 44.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -61.04 -27.22 68.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.34 -35.28 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD23 HD21 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -52.5 -48.2 66.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.15 -27.85 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -71.64 -33.07 68.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 84.6 mtp -52.49 117.12 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -90.35 -170.92 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.76 -33.12 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -76.79 -43.02 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -56.13 24.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.438 ' CB ' HG23 ' A' ' 92' ' ' THR . 6.4 m-85 -58.7 -32.7 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 89' ' ' LEU . 6.1 mt -58.25 -31.0 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -73.61 -28.18 61.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.08 -38.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -147.97 173.06 13.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.0 p -70.06 168.74 14.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD23 HD21 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -61.56 -41.32 97.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -52.92 -42.56 65.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.513 ' OD1' HD22 ' A' ' 59' ' ' LEU . 89.9 m-20 -79.46 -39.6 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.438 HG23 ' CB ' ' A' ' 83' ' ' PHE . 89.8 m -52.3 -38.96 59.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.59 -30.41 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.6 -27.7 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.6 mt -85.02 -54.12 4.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.28 -41.34 75.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 27.6 t -60.86 -39.59 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -69.37 -44.76 70.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.458 HD13 ' CZ2' ' A' ' 49' ' ' TRP . 2.2 mp -68.3 -26.36 65.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.4 m -87.24 -28.32 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -60.84 -32.05 71.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 81.7 mt -74.48 -27.38 60.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -61.5 -36.58 80.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -52.69 -29.32 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -26.5 41.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 t -93.3 -33.44 13.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.73 -23.44 51.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.34 -21.27 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.7 -67.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.46 164.74 25.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 53.15 82.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.6 p -129.38 98.66 4.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.85 -43.28 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.7 155.51 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -56.95 157.75 5.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.97 101.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -168.34 55.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.71 114.41 26.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.91 -179.94 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t 57.93 -179.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.25 33.54 20.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.76 105.2 17.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.0 176.6 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t 52.47 76.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 128.68 37.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -81.98 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.87 160.62 73.71 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.35 -170.72 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -166.75 -178.61 4.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 146.33 4.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.83 137.19 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.877 -179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.63 172.24 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.3 136.27 7.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.28 119.85 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -178.27 157.36 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.75 132.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.23 143.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.47 135.87 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -131.57 140.02 49.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mtt -75.67 123.13 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.16 110.71 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.16 176.84 10.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -163.07 89.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -156.8 157.95 35.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.17 -175.53 13.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.73 23.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.6 Cg_endo -69.73 168.61 21.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.333 -0.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.9 15.5 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -128.74 48.31 2.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -99.14 -31.61 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.1 p -62.92 106.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.16 43.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -131.45 167.22 19.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -135.51 156.04 49.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.32 45.08 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.42 107.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -166.42 143.53 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 tt -98.68 -30.26 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.56 137.73 10.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.153 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.21 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.49 160.59 37.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.55 37.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -75.83 -36.19 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.5 mt -101.51 53.37 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -101.09 166.73 10.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.631 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.0 t -123.18 168.57 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -56.75 -27.34 59.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -75.34 -27.92 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.631 ' ND1' HG22 ' A' ' 42' ' ' THR . 23.3 m80 -86.68 -27.0 24.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 42' ' ' THR . 55.9 t -74.73 -29.26 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -90.26 -50.0 6.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -55.85 -49.24 73.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.05 -49.04 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tp -56.61 -49.18 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.88 -26.72 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -77.71 -58.16 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.35 -53.15 48.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.0 mt -55.6 -25.66 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -83.5 -60.08 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -63.06 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -61.3 -26.28 67.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 m 63.0 55.96 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.7 mt -80.68 -171.99 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -163.33 147.94 11.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 63.22 67.62 0.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.9 tt -132.78 146.13 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.99 136.46 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 -34.18 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 m -60.99 -26.69 67.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -27.42 62.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -112.09 26.65 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.07 -27.85 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -158.06 49.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -102.09 142.86 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.27 137.46 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.8 49.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -66.35 -29.28 69.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.698 0.285 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.95 -34.48 75.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -53.06 -43.68 66.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.52 -42.72 67.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -56.78 -32.91 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.6 mmm -65.05 126.99 29.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -103.42 -173.54 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -42.06 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.28 -51.76 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -55.65 -40.86 72.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' CB ' HG23 ' A' ' 92' ' ' THR . 3.4 m-85 -75.76 -28.9 58.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 HD23 ' A' ' 89' ' ' LEU . 4.3 mt -61.92 -26.3 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -75.37 -26.38 58.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.42 -41.44 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -139.36 173.13 11.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 54.0 p -71.24 172.55 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -66.76 -40.63 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 94' ' ' VAL . 44.8 t80 -57.51 -34.97 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.451 ' OD1' HD22 ' A' ' 59' ' ' LEU . 68.7 m-20 -84.12 -41.08 17.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.4 m -54.32 -36.63 63.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.43 -27.08 63.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 90' ' ' TYR . 55.9 t -80.12 -38.18 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.7 mt -71.79 -58.4 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.52 -50.55 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -54.9 -46.34 74.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -60.71 -51.43 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.7 -26.0 42.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.8 t -89.64 -26.59 20.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -76.0 -27.2 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.19 -53.09 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -26.84 57.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -81.29 -27.85 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.471 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.1 t -84.7 -27.03 27.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 76.2 p -56.0 -25.57 44.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 mp -56.76 -24.65 51.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 105' ' ' SER . 1.5 pp -71.4 -21.66 61.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.39 -61.34 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -67.83 141.86 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -140.14 -172.43 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.5 p -57.8 153.23 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.36 172.43 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.6 -172.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -174.72 -176.41 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.86 153.83 40.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -100.6 137.81 38.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -134.47 141.84 46.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 t -96.5 136.42 37.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.0 m -159.05 84.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -174.66 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.1 mt -150.97 145.02 25.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.6 t -126.94 79.25 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.6 m -58.43 164.0 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.5 140.42 38.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -137.36 -49.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.64 160.58 68.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.624 0.726 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.95 112.41 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.904 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -151.03 108.24 3.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.0 -172.97 21.87 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.8 140.47 48.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.838 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -87.62 178.98 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.59 68.77 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttp -102.28 133.12 47.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -145.13 144.41 30.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.37 121.87 26.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -87.14 -32.06 20.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 m 54.8 90.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -96.35 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.02 131.44 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.14 171.3 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.76 102.64 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.06 136.58 35.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 58.43 78.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.3 171.96 30.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 167.75 23.61 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.4 Cg_endo -69.77 168.62 21.06 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.333 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.2 Cg_endo -69.76 167.79 69.79 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.338 -0.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -47.1 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.726 2.284 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -151.96 129.43 11.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -101.34 138.1 38.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.5 p 51.39 -171.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 78.4 p -96.59 38.87 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -122.13 -175.96 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -126.74 40.32 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 53.03 85.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.39 -66.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -172.41 136.89 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 tt -95.53 -30.59 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -151.64 137.73 11.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.119 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -48.24 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.373 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -73.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -117.91 160.59 38.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -16.99 37.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.4 p -81.62 -25.84 35.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -107.69 49.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -97.93 163.01 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 46' ' ' VAL . 38.3 p -108.26 -173.14 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -74.37 -29.71 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -79.85 -41.33 26.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -58.14 -27.09 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 42' ' ' THR . 60.1 t -79.04 -25.74 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -52.48 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -53.22 -47.48 68.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.45 ' CH2' HD13 ' A' ' 99' ' ' LEU . 33.9 t90 -52.09 -54.77 26.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.1 tp -54.47 -49.28 70.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -60.21 -26.85 66.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -80.69 -46.7 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.78 -51.51 66.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.57 -25.67 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -62.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.27 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -61.47 -26.34 67.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.6 t 62.66 54.41 2.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.28 -176.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -149.63 130.28 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 63.05 97.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.6 tt -154.48 137.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.74 133.39 50.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -33.76 5.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -26.8 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -26.81 61.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' HB2' HD22 ' A' ' 50' ' ' LEU . 32.2 m-85 -111.83 27.42 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -88.95 -30.09 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -155.35 56.1 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.6 ttp -110.55 141.44 43.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.28 137.62 54.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -42.07 55.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -33.8 72.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -39.31 93.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mp -52.82 -31.17 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 33.7 m -75.88 -42.07 50.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -59.93 -28.34 67.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.4 mtp -62.53 113.43 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -91.68 179.18 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -30.75 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.09 -51.44 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -53.18 -45.13 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.459 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.1 m-85 -68.2 -36.13 79.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 89' ' ' LEU . 9.1 mt -60.15 -29.73 68.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -73.46 -26.22 60.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.59 -42.77 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -141.5 173.27 11.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.8 p -71.83 161.74 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.475 ' HB2' HD21 ' A' ' 84' ' ' LEU . 3.2 tp -57.85 -40.36 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -52.39 -34.94 50.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -87.87 -41.21 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.459 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -57.0 -42.72 80.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -62.52 -30.11 71.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 63.7 t -81.03 -25.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 92' ' ' THR . 10.8 mt -84.9 -59.9 2.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.27 -45.08 65.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.969 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.8 t -59.23 -48.03 83.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -59.03 -53.21 60.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.45 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.3 mp -56.87 -26.2 58.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.8 t -86.92 -26.72 23.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -65.24 -36.8 85.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.96 -38.12 84.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.35 -32.13 64.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -26.39 17.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.485 ' O ' HD23 ' A' ' 108' ' ' LEU . 23.3 t -73.37 -28.42 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -54.72 -27.17 38.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.03 -28.02 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 105' ' ' SER . 1.6 pp -65.98 -31.19 71.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.77 -26.63 35.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.072 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -70.35 155.75 40.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -53.86 136.14 40.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.07 162.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.2 t -117.66 -31.55 5.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.06 -175.65 5.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -68.35 121.96 17.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 p -116.6 177.85 4.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.98 53.38 4.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -87.01 55.65 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.11 179.82 5.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t 59.19 80.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -99.51 62.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.14 107.72 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.07 177.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 25.2 m -66.57 156.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 139.52 53.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.52 114.99 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -61.91 160.56 28.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.679 2.252 . . . . 0.0 112.376 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.46 163.43 29.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -161.34 148.03 14.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.36 154.59 21.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -164.1 165.24 22.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.37 -170.14 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.22 -129.39 2.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.53 164.85 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -146.91 176.02 10.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -140.43 160.38 40.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -124.4 178.91 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.44 155.22 41.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -147.21 174.74 11.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -163.6 144.46 8.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.7 169.46 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.03 159.7 28.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -62.31 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 57.35 93.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.46 166.62 38.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 167.71 23.58 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.719 2.28 . . . . 0.0 112.35 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.74 168.58 21.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.3 Cg_endo -69.77 167.8 69.78 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 173.54 10.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -68.35 -40.97 81.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 55.84 89.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -142.12 87.3 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.2 p -109.25 144.04 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -97.2 -63.91 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -98.75 77.94 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -172.44 106.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.75 ' HG3' HG12 ' A' ' 32' ' ' VAL . 1.1 tpp180 -120.28 -70.08 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.75 HG12 ' HG3' ' A' ' 31' ' ' ARG . 7.5 p -176.33 129.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.2 tt -111.64 -29.35 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.11 137.67 10.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.25 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.47 160.6 45.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.13 36.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -78.46 -31.71 48.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.7 mt -104.63 52.39 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -101.33 163.21 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.551 HG22 ' ND1' ' A' ' 45' ' ' HIS . 14.2 t -122.27 169.63 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -27.13 55.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' H ' HG23 ' A' ' 42' ' ' THR . 2.4 tt0 -75.43 -26.78 58.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.551 ' ND1' HG22 ' A' ' 42' ' ' THR . 22.6 m80 -88.97 -26.37 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' THR . 61.9 t -76.48 -29.04 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttp85 -89.59 -47.74 7.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -59.11 -49.66 77.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 45.6 t90 -52.3 -49.93 63.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -51.41 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.36 -29.92 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 92.0 t90 -77.64 -53.43 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.93 -51.45 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.2 mt -56.4 -25.47 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -63.34 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -62.17 -26.35 68.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.16 73.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.665 HD22 ' OD1' ' A' ' 91' ' ' ASN . 15.6 mt -98.91 137.37 37.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -114.29 -15.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -118.67 68.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.2 tt -145.07 143.03 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.67 135.06 34.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.29 -28.04 11.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.27 -34.27 77.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -58.24 -28.44 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -107.25 31.01 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -69.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -131.7 56.3 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 tpp -95.62 144.1 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -77.36 137.68 38.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.24 -37.73 47.76 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.85 -28.65 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.49 -36.58 38.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.2 mp -52.72 -53.42 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.4 p -69.36 -26.98 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.49 -31.38 68.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.95 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -108.74 -178.45 3.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 89' ' ' LEU . 21.9 tttt -52.03 -33.93 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -73.18 -52.79 12.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -54.89 -38.81 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.569 ' CB ' HG23 ' A' ' 92' ' ' THR . 9.2 m-85 -74.98 -31.49 61.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 89' ' ' LEU . 5.5 mt -60.89 -27.85 68.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -73.95 -31.06 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.42 -40.72 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -144.58 173.49 11.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.3 p -69.73 173.28 6.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -64.91 -43.43 92.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.555 ' O ' HG23 ' A' ' 94' ' ' VAL . 75.0 t80 -53.22 -31.93 45.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.665 ' OD1' HD22 ' A' ' 59' ' ' LEU . 36.7 m-20 -90.02 -39.66 12.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.569 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.3 m -52.64 -39.42 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.7 -26.71 61.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 90' ' ' TYR . 85.4 t -77.71 -25.79 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.03 -57.86 2.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -50.69 63.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.7 t -53.86 -41.02 67.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -65.68 -43.63 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 75' ' ' LEU . 1.5 mp -68.19 -26.01 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -26.82 22.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -67.71 -34.36 76.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.96 -56.87 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -52.45 -30.1 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -26.49 49.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.8 m -55.34 -33.63 63.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -30.15 15.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -55.6 -26.02 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.0 pp -78.64 -32.24 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -52.2 -33.36 40.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.22 176.77 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 62.7 102.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.53 127.31 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.0 t -60.1 -25.85 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -55.03 161.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -166.05 177.98 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 p -54.23 145.53 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -64.47 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -74.71 105.96 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 70.0 p -149.41 42.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.6 m -79.53 125.2 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -117.84 154.0 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.799 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.8 tp 62.27 177.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.4 p -178.72 170.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.4 m -70.37 -179.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.83 153.93 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.49 -54.07 2.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.84 160.1 34.82 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.643 0.735 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.0 103.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.18 89.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.43 106.59 2.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.41 95.8 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 p -139.96 138.79 35.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.85 -163.04 36.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.44 164.68 21.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -115.54 136.94 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.92 -37.12 7.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 61.09 -170.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.07 104.3 10.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -83.02 178.17 8.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.19 173.75 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -98.6 -26.83 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 63.21 91.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -74.75 129.58 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -160.77 -176.43 5.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.24 170.8 42.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.75 23.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 2.239 . . . . 0.0 112.318 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.77 168.61 21.09 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.76 167.76 69.9 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.323 -0.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -19.83 35.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.47 100.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.65 -177.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.8 t -177.13 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.6 134.89 39.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -113.16 136.07 53.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.36 120.61 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -120.38 139.16 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.52 119.13 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.1 p -125.71 137.98 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tt -96.24 -32.9 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.61 137.68 10.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.645 0.736 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -48.3 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.69 160.59 37.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.14 37.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.1 p -78.01 -34.82 50.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.41 50.56 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -99.72 162.38 13.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.614 HG22 ' ND1' ' A' ' 45' ' ' HIS . 13.9 t -120.48 169.48 10.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.54 -26.94 56.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' H ' HG23 ' A' ' 42' ' ' THR . 5.5 tt0 -75.63 -26.22 57.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.614 ' ND1' HG22 ' A' ' 42' ' ' THR . 25.4 m80 -89.59 -27.27 20.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 42' ' ' THR . 61.8 t -74.34 -29.31 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -89.25 -49.5 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -56.44 -49.54 74.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.409 ' CH2' HD22 ' A' ' 95' ' ' LEU . 43.6 t90 -52.05 -45.26 64.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.494 HD22 ' HB2' ' A' ' 67' ' ' PHE . 5.3 tp -62.09 -53.49 54.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.54 -33.77 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -73.38 -44.5 58.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.87 64.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.7 mt -55.99 -26.02 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.95 -64.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -52.51 -64.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -61.42 -26.39 67.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.2 t 63.08 61.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.34 -170.25 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.4 ptp -157.86 137.02 11.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 58.57 93.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -151.04 136.81 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.66 133.53 53.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.47 -35.65 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.98 -26.74 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.06 -27.06 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' HB2' HD22 ' A' ' 50' ' ' LEU . 30.7 m-85 -113.06 26.42 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -85.53 -31.49 22.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -157.83 43.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.4 ttp -91.32 140.5 29.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.69 136.19 55.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.49 -30.81 34.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -33.73 75.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.22 -37.76 84.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 99' ' ' LEU . 2.2 mp -55.64 -65.66 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.2 p -56.67 -24.78 51.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -78.59 -25.86 45.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.5 mmm -69.15 125.68 27.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -99.41 -172.42 2.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' CE ' HD11 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -56.78 -39.12 73.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.41 -53.53 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.11 -29.9 67.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.8 m-85 -82.74 -28.17 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD21 HD23 ' A' ' 89' ' ' LEU . 5.4 mt -62.98 -26.41 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -75.53 -27.94 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.7 -40.77 13.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -144.37 173.46 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.7 p -70.22 171.33 9.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.37 -40.95 94.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -58.11 -29.51 65.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -90.71 -35.89 14.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.562 HG23 ' CB ' ' A' ' 83' ' ' PHE . 91.8 m -57.07 -44.7 83.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -62.72 -29.25 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.0 t -75.77 -25.83 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.409 HD22 ' CH2' ' A' ' 49' ' ' TRP . 83.7 mt -85.96 -59.22 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -54.16 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.7 t -52.17 -31.92 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -75.07 -46.86 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 102' ' ' LEU . 1.5 mp -66.6 -26.31 67.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.7 t -88.28 -26.82 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -70.26 -41.96 72.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 99' ' ' LEU . 3.2 mt -61.29 -30.77 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.54 -44.4 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.63 ' HA ' HD23 ' A' ' 107' ' ' LEU . 5.6 mt-10 -60.67 -26.28 66.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 t -75.24 -36.46 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -57.94 -26.59 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 104' ' ' GLU . 4.4 mm? -52.76 -29.2 25.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.65 -25.96 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.72 -40.72 66.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -60.22 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.28 -69.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.22 -173.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 t -102.88 142.58 33.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.77 169.7 18.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -111.14 80.82 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.06 158.58 43.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -117.79 146.57 43.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.98 130.52 40.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.01 -58.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -82.11 117.34 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -155.47 116.75 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.7 t 55.67 85.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.85 132.84 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.02 27.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 52.19 72.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.3 160.57 3.38 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 56.7 75.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.824 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -172.6 179.5 2.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 -31.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 62.71 -178.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -137.2 148.25 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.75 105.66 2.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.7 ttt -134.44 134.75 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -91.6 146.74 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -161.39 167.52 25.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.82 134.49 18.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.49 133.52 12.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -144.45 120.28 10.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.72 -177.83 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -172.47 41.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -115.64 110.72 19.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.53 43.16 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -168.25 156.66 8.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -146.26 -179.02 22.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 167.73 23.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.71 168.6 21.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.73 167.76 69.79 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 -1.78 . . . . 0.0 112.32 -0.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.23 33.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 116.96 2.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.6 -178.96 3.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.72 97.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -98.56 -37.59 9.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -142.81 177.69 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -156.79 50.43 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -156.5 59.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.53 -61.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.8 p -78.87 151.0 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.3 tt -102.71 -33.94 3.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -155.53 137.74 10.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.35 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.4 -72.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.08 160.61 38.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -15.04 36.92 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.2 p -78.09 -37.19 47.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 mt -96.69 43.91 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -94.69 155.18 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 36.5 p -102.61 -174.71 2.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -74.06 -28.75 61.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.21 -39.47 23.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -56.63 -27.35 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 42' ' ' THR . 45.4 t -78.12 -26.81 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -78.14 -49.83 13.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -52.85 -39.55 62.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.455 ' CH2' HD22 ' A' ' 95' ' ' LEU . 72.0 t90 -73.78 -26.06 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 67' ' ' PHE . 0.8 OUTLIER -77.95 -54.38 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.16 -28.49 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -75.83 -57.53 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.15 -52.5 51.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.1 mt -56.87 -25.26 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -65.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -52.07 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -61.22 -26.31 67.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m 63.14 54.75 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 91' ' ' ASN . 17.9 mt -75.1 -170.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -172.04 152.16 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 63.23 47.41 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -118.52 143.61 28.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.52 133.39 38.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.37 -30.46 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -61.46 -32.87 72.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -27.43 69.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.467 ' CD2' HD11 ' A' ' 50' ' ' LEU . 27.2 m-85 -113.69 26.6 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -71.98 -33.3 68.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -161.12 37.81 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 tpp -79.81 135.16 36.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.71 137.26 57.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -52.37 -31.55 35.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -59.72 -33.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.741 0.305 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -76.59 -37.39 56.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -57.41 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -63.99 -23.68 67.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.96 -27.5 49.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.6 mtp -61.21 114.68 3.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -94.0 -171.62 2.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -30.78 63.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -78.31 -53.62 7.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -55.41 -42.96 74.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' CB ' HG23 ' A' ' 92' ' ' THR . 5.0 m-85 -71.45 -31.2 66.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD23 ' A' ' 89' ' ' LEU . 5.3 mt -62.6 -26.68 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -78.29 -27.4 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.96 -36.25 15.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -147.57 173.11 13.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.8 p -70.52 170.76 11.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -65.61 -39.19 91.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.959 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -55.0 -36.73 65.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.446 ' OD1' HD22 ' A' ' 59' ' ' LEU . 91.2 m-20 -85.31 -38.71 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' CB ' ' A' ' 83' ' ' PHE . 85.3 m -52.65 -42.35 64.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -65.79 -26.89 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.4 -25.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' CH2' ' A' ' 49' ' ' TRP . 42.8 mt -84.83 -55.99 3.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.2 tp -56.22 -51.72 67.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 t -53.48 -35.37 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -72.15 -56.5 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.3 mp -55.59 -26.03 41.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.5 t -88.48 -26.86 21.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -70.96 -27.64 63.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.68 -58.11 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -27.37 39.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -30.58 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.9 p -56.97 -29.3 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.822 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -89.46 -27.87 20.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -55.58 -26.6 44.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 pp -82.64 -28.76 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.38 -27.62 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.73 96.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.72 -43.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.02 166.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.58 176.81 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.5 -174.6 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.9 167.94 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.4 p -120.75 121.49 38.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.92 153.56 43.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.03 138.9 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.53 -171.88 2.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.7 t -152.26 132.13 13.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.93 42.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.24 35.77 4.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.3 m -70.15 117.04 11.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.3 p -130.06 144.15 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -138.16 -170.31 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.85 179.59 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.97 160.58 29.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.667 2.245 . . . . 0.0 112.341 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p -177.07 37.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.72 101.5 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.67 83.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.32 -179.7 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -103.0 178.06 4.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.7 127.18 2.1 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.81 137.61 51.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -120.86 -174.73 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -163.34 169.2 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -167.87 -173.73 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.82 -172.06 4.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.96 130.46 10.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -139.29 163.81 31.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -171.05 140.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.68 -70.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt 56.89 68.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -175.89 108.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.68 179.47 41.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 167.77 23.6 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.82 168.65 21.02 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.8 Cg_endo -69.74 167.7 70.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.333 -0.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.66 4.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.661 2.241 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -129.63 167.88 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.6 ptm -102.53 -27.68 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 p -136.37 104.27 5.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.166 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.71 30.52 6.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 m120 58.8 -170.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -107.34 177.65 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 62.1 177.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -100.05 -68.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -176.47 132.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.6 tt -115.0 -33.47 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -154.96 137.72 10.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.06 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.04 -75.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.17 160.48 26.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -18.72 37.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.9 p -95.5 30.53 2.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.0 mt -149.41 25.9 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -81.47 150.71 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 46' ' ' VAL . 28.1 p -88.18 -173.41 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -25.94 66.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.49 -47.81 9.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -52.02 -54.17 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' THR . 85.6 t -51.95 -30.36 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -81.21 -40.76 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -65.89 -47.85 73.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 60.0 t90 -52.21 -38.06 56.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.57 -59.97 3.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.46 -34.66 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -64.25 -52.24 59.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -53.07 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.25 -26.79 19.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.5 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.34 -26.31 67.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t 63.14 57.57 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' OD1' ' A' ' 91' ' ' ASN . 11.7 mt -81.51 -177.1 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.45 133.74 16.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.48 97.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.1 tt -154.13 143.84 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.524 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -65.57 138.64 58.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.858 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -58.59 -39.99 81.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -27.96 51.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -107.62 26.46 10.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -71.7 -28.84 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.89 74.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.428 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.2 ttp -125.45 144.94 50.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.15 136.57 39.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.02 -27.23 37.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -29.88 69.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.42 -33.71 60.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mp -54.52 -65.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.461 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.8 OUTLIER -56.69 -24.76 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -78.55 -25.83 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 mtm -64.2 134.01 53.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -87.24 -170.19 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -60.96 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.2 pt-20 -51.68 -37.7 51.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.38 -33.42 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -92.19 -32.12 15.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.763 HD21 HD23 ' A' ' 89' ' ' LEU . 7.0 mt -59.09 -25.1 63.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -71.79 -36.41 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' ASP . . . -81.76 -47.79 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -131.96 174.37 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.7 p -78.54 -177.29 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.763 HD23 HD21 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -70.02 -42.76 72.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 56.1 t80 -51.96 -30.15 23.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.596 ' OD1' HD22 ' A' ' 59' ' ' LEU . 7.6 m-20 -93.51 -38.41 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.835 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.8 m -52.06 -41.1 62.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.22 -26.2 61.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' TYR . 93.8 t -78.26 -30.92 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.39 -55.1 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.9 tp -51.99 -30.22 24.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.8 t -71.36 -57.34 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.518 ' HE1' HD21 ' A' ' 102' ' ' LEU . 49.8 t-80 -52.13 -31.06 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 76' ' ' CYS . 1.2 mp -62.33 -35.12 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.9 t -88.23 -26.83 22.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.83 -41.66 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.518 HD21 ' HE1' ' A' ' 98' ' ' HIS . 3.1 mt -62.91 -26.58 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -75.9 -28.85 58.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -27.6 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 t -54.57 -27.78 41.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.39 -27.65 17.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.04 -26.76 39.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.68 -30.88 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.7 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.113 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -80.85 -60.15 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 62.33 170.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 3.0 m -82.73 -39.03 22.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.4 m -97.47 121.08 38.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.134 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.2 t -164.43 159.3 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.18 128.46 37.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.1 p -112.37 128.18 56.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -52.41 160.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.16 99.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.12 178.48 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.04 91.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.06 172.89 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.92 123.25 36.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 21.4 p -66.26 129.03 38.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.8 m -101.16 177.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.55 114.91 3.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.5 141.45 38.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.76 160.59 28.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -170.48 172.46 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -168.85 169.31 9.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.42 134.27 2.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -156.0 177.43 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.2 157.94 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 169.0 39.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 ttt -178.53 171.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -166.37 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.13 167.36 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -167.47 161.5 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.49 158.93 39.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -160.76 144.07 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mtp -109.62 168.16 9.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.2 p30 -142.92 -178.69 5.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.86 161.69 15.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -142.93 109.91 5.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -115.88 144.29 44.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.74 173.87 16.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.529 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.72 23.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.26 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.0 Cg_endo -69.74 168.57 21.16 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.731 2.287 . . . . 0.0 112.32 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.5 Cg_endo -69.8 167.75 70.06 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.321 -0.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.41 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -168.82 -170.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.3 ptp -173.59 179.66 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.28 97.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.35 70.36 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -150.13 124.65 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -166.02 106.26 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.631 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -117.31 26.26 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mtp85 56.38 26.14 10.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 30' ' ' ARG . 6.9 p -177.37 124.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.5 tt -120.25 -33.84 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -153.85 137.72 10.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.33 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.643 2.229 . . . . 0.0 112.343 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.34 -72.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.7 160.6 37.75 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.11 37.38 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 p -78.76 -32.77 46.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 mt -101.07 50.71 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -100.4 160.94 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.598 HG22 ' ND1' ' A' ' 45' ' ' HIS . 15.3 t -119.85 167.79 11.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -55.74 -27.38 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 42' ' ' THR . 0.8 OUTLIER -75.65 -26.99 58.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.598 ' ND1' HG22 ' A' ' 42' ' ' THR . 20.0 m80 -86.72 -26.03 24.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 42' ' ' THR . 45.0 t -79.69 -28.85 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -89.21 -31.97 17.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -75.56 -47.75 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.507 ' CH2' HD13 ' A' ' 99' ' ' LEU . 47.2 t90 -53.36 -40.09 64.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.3 tp -63.11 -59.93 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -57.99 -26.54 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -75.85 -58.15 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.92 -49.39 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.27 -26.49 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.34 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -61.61 -26.27 67.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.17 63.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD22 ' OD1' ' A' ' 91' ' ' ASN . 10.0 mt -88.21 -170.16 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -162.36 140.54 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 61.96 82.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -146.37 143.15 21.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.26 135.04 54.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 -36.19 3.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.2 m -67.36 -28.41 67.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -26.57 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -110.4 26.41 10.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -77.11 -31.66 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -154.15 67.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.8 tpp -116.74 144.61 44.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.73 136.42 47.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.18 -30.87 40.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -73.23 -32.5 64.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -35.27 80.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.469 HD11 HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -51.98 -56.8 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.53 -23.56 67.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.79 -28.47 50.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 61.7 mtp -58.62 112.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -76.71 -170.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -64.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 84' ' ' LEU . 4.0 pt-20 -52.0 -36.92 51.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.64 -32.39 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -93.89 -33.77 13.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 89' ' ' LEU . 8.5 mt -56.43 -25.68 51.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -75.21 -25.91 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.2 -46.11 7.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -135.96 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.8 p -77.36 -178.53 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -68.61 -42.79 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.486 ' O ' HG23 ' A' ' 94' ' ' VAL . 68.6 t80 -52.1 -30.44 26.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.639 ' OD1' HD22 ' A' ' 59' ' ' LEU . 8.2 m-20 -93.51 -38.05 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.2 m -51.82 -41.76 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.65 -26.63 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 90' ' ' TYR . 94.1 t -78.11 -28.28 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.3 mt -90.57 -55.4 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 29.4 tp -52.66 -57.59 9.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -52.11 -52.02 54.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -52.38 -46.55 66.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.507 HD13 ' CH2' ' A' ' 49' ' ' TRP . 1.1 mp -62.23 -26.03 68.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -26.67 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.34 -40.59 94.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.0 -39.99 60.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -41.97 97.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -58.28 -26.22 62.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -65.7 -30.64 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 70.8 m -94.08 -32.51 13.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 104' ' ' GLU . 1.1 mt -56.73 -24.46 49.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pp -78.94 -32.88 45.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.56 -27.47 68.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -70.65 137.52 49.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.01 -171.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.6 p -135.11 138.62 43.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.16 174.38 10.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.43 96.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -96.54 179.99 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -126.58 171.37 11.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.87 158.23 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -146.79 157.67 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.41 157.47 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.14 153.24 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.6 -25.14 8.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.15 88.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.9 m -88.03 142.88 27.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -141.64 144.81 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 169.85 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -173.61 116.9 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.71 160.57 76.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.269 . . . . 0.0 112.294 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -98.78 113.38 25.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.49 122.21 47.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.56 107.83 0.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.86 145.46 31.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.856 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.05 116.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.35 169.63 29.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -116.45 155.81 27.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.85 -41.94 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.61 176.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -139.55 -50.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.26 160.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -151.4 135.36 16.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.93 165.84 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -163.86 151.81 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.96 122.84 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -120.76 84.4 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -110.74 175.69 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -140.36 172.82 23.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.71 23.7 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.35 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HA ' ' C ' ' A' ' 22' ' ' PRO . 54.1 Cg_endo -69.77 168.57 21.18 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.79 167.72 70.14 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.339 0.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.85 144.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -120.28 143.23 48.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.5 t -115.69 32.97 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.162 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 61.27 -177.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.38 -174.6 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -117.34 30.23 7.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.5 77.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.78 136.88 58.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.8 tt -107.85 -31.11 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.95 137.71 11.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -178.16 -68.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.28 160.52 47.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.697 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -16.72 37.44 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.1 p -82.84 -26.13 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.55 49.1 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 1.5 m0 -97.16 166.25 11.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 46' ' ' VAL . 34.1 p -113.2 -178.99 3.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -69.36 -26.87 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 -44.31 18.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -56.58 -26.43 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 42' ' ' THR . 68.0 t -81.64 -25.42 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -55.66 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -54.09 -49.3 69.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -54.31 -41.46 69.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD23 HG22 ' A' ' 64' ' ' THR . 9.0 tp -60.92 -65.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -30.55 43.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -70.08 -50.79 37.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -48.42 81.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.4 -24.56 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.15 -65.26 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.97 -65.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -61.61 -26.53 68.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 m 63.12 59.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.5 mt -79.39 -171.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.08 142.05 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 58.22 89.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 tt -152.28 138.72 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.33 133.72 45.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.472 HG22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -108.41 -28.91 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.0 t -68.18 -30.02 69.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -26.94 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -109.25 32.91 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.89 -28.7 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -148.88 26.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.3 tpp -76.72 132.26 39.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.07 137.52 56.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.75 -33.55 49.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.81 -26.94 63.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.23 -34.82 68.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 99' ' ' LEU . 1.5 mp -53.1 -60.3 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 25.3 p -63.2 -26.6 68.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.2 133.63 55.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.88 -171.18 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.77 -34.49 67.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -74.36 -49.6 22.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.09 -35.38 66.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CB ' HG23 ' A' ' 92' ' ' THR . 8.2 m-85 -80.83 -26.88 36.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.742 HD21 HD23 ' A' ' 89' ' ' LEU . 6.3 mt -64.1 -28.94 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -74.05 -27.16 60.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 -43.82 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -138.78 172.39 12.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.4 p -70.06 172.83 7.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.742 HD23 HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -66.33 -41.56 89.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -55.85 -36.22 67.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -84.51 -39.29 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.548 HG23 ' CB ' ' A' ' 83' ' ' PHE . 95.5 m -54.59 -41.91 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.98 -27.15 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.02 -37.02 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -75.7 -57.31 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -47.99 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.0 t -55.28 -48.98 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.97 -48.03 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 75' ' ' LEU . 2.0 mp -63.58 -26.11 68.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.4 t -85.25 -26.69 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -58.66 -37.57 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.94 -26.2 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -28.89 40.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.76 -33.3 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 p -63.87 -28.78 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.59 -28.55 24.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.0 mt -55.76 -26.23 44.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 pp -82.35 -26.76 32.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.45 -37.1 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -59.67 -175.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 60.79 97.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 62.3 p -57.21 179.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.3 m -58.91 120.16 8.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 p -152.18 -176.4 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -138.42 159.38 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.7 156.96 24.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -140.47 143.07 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 m -152.3 163.28 39.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.2 -178.36 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -97.19 -170.42 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.7 88.59 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.9 m -131.72 -175.07 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 39.2 t 60.9 80.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -95.11 77.66 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.36 174.74 5.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.67 160.57 47.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.702 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.184 0 C-N-CA 122.724 2.283 . . . . 0.0 112.331 -179.953 . . . . . . . . 0 0 . 1 stop_ save_